SCHEMBL10055037

SCHEMBL10055037

OCc1ccc(CNc2ccc(F)cn2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.56
GPR55 Q9Y2T6 1/20 0.54
ALDH1A1 P00352 5/20 0.51
KDM4E B2RXH2 3/20 0.51
HPGD P15428 1/20 0.51
CXCR1 P25024 1/20 0.47
CXCR2 P25025 1/20 0.47
NTRK1 P04629 1/20 0.45
NTRK3 Q16288 1/20 0.45
NTRK2 Q16620 1/20 0.45
PIM1 P11309 1/20 0.44
HDAC1 Q13547 1/20 0.44
CXCR4 P61073 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
NPC1 O15118 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10055036 0.91 GPR55 (0.60) FYNGPR55ALDH1A1KDM4EHPGD
SCHEMBL14950724 0.83 GPR55 (0.54) FYNGPR55ALDH1A1KDM4EHPGD
SCHEMBL3501616 0.82 GPR55 (0.56) GPR55ALDH1A1KDM4EHPGDHDAC1
SCHEMBL10055029 0.82 GPR55 (0.59) GPR55ALDH1A1KDM4EHPGDCXCR4
SCHEMBL16001177 0.82 ALDH1A1 (0.57) GPR55ALDH1A1KDM4EHPGDCXCR1
SCHEMBL24661308 0.78 TDO2 (0.41) GPR55ALDH1A1KDM4ECXCR2
SCHEMBL22191375 0.77 GPR55 (0.57) FYNGPR55ALDH1A1KDM4EHPGD
SCHEMBL5653224 0.77 GPR55 (0.57) FYNGPR55ALDH1A1KDM4EHPGD
SCHEMBL23609081 0.77 ALDH1A1 (0.62) FYNGPR55ALDH1A1KDM4EHPGD
SCHEMBL29973647 0.77 GPR55 (0.57) FYNGPR55ALDH1A1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2023-10-10 US disclosed
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2021-12-30 US disclosed
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction EMORY UNIVERSITY (US) 2020-04-28 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction EMORY UNIVERSITY 2018-04-19 US disclosed
EP-2776387-B1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION UNIV EMORY (US) 2017-02-01 EP disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction METASTATIX, INC. 2016-03-03 US disclosed
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders EMORY UNIVERSITY 2016-01-07 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY 2014-02-06 US disclosed
WO-2013070660-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION EMORY UNIVERSITY (US) 2013-05-16 WO disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8114884-B2 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY (US) 2012-02-14 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
US-8008312-B2 CXCR4 antagonists for the treatment of HIV infection EMORY UNIVERSITY (US) 2011-08-30 US disclosed
WO-2008008852-A2 CXCR4 ANTAGONISTS INCLUDING HETEROATOMS FOR THE TREATMENT OF MEDICAL DISORDERS EMORY UNIVERSITY (US) 2008-01-17 WO disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders EMORY UNIVERSITY 2007-03-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210401836-A1 TRICYCLIC AMINO CONTAINING COMPOUNDS FOR TREATMENT OR PREVENTION OF SYMPTOMS ASSOCIATED WITH ENDOCRINE DYSFUNCTION SHBG, ABAT, GLS FYN 4036/4885GPR55 820/4885ALDH1A1 3626/4885
US-10632120-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS FYN 4036/4885GPR55 820/4885ALDH1A1 3626/4885
US-20070054930-A1 CXCR4 antagonists for the treatment of medical disorders CXCR4, CXCL12, CXCR1 FYN 979/4885GPR55 250/4885ALDH1A1 1269/4885
US-20160058761-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS FYN 4036/4885GPR55 820/4885ALDH1A1 3626/4885
US-11779583-B2 Tricyclic amino containing compounds for treatment or prevention of symptoms associated with endocrine dysfunction SHBG, ABAT, GLS FYN 4036/4885GPR55 820/4885ALDH1A1 3626/4885
US-20160002174-A1 CXCR4 Antagonists for the Treatment of Medical Disorders CXCR4, CXCL12, CXCR1 FYN 979/4885GPR55 250/4885ALDH1A1 1269/4885
US-20140039187-A1 CXCR4 ANTAGONISTS FOR THE TREATMENT OF MEDICAL DISORDERS CXCR4, CXCL12, CXCR1 FYN 979/4885GPR55 250/4885ALDH1A1 1269/4885
US-20180104243-A1 Tricyclic Amino Containing Compounds for Treatment or Prevention of Symptoms Associated with Endocrine Dysfunction SHBG, ABAT, GLS FYN 4036/4885GPR55 820/4885ALDH1A1 3626/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.