SCHEMBL4991445

SCHEMBL4991445

COc1cc(C(=O)O)nc2c(N3CCN(C)CC3)cc(F)cc12

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 5/20 0.63
GPR35 Q9HC97 1/20 0.52
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HTR1A P08908 2/20 0.40
HTR1D P28221 2/20 0.40
HTR2A P28223 1/20 0.40
CSF1R P07333 2/20 0.40
HTR6 P50406 3/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
HTR2C P28335 1/20 0.38
SCN5A Q14524 1/20 0.38
WHR1 P49842 1/20 0.38

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
Hydrochloric Acid SCHEMBL4990186 0.99 HTR1B (0.62) HTR1BGPR35ALOX15ALDH1A1KDM4E
SCHEMBL4991548 0.90 HTR1B (0.65) HTR1BGPR35ALDH1A1KDM4EHPGD
SCHEMBL14370189 0.78 HTR1B (1.00) HTR1BALDH1A1KDM4ETSHRHTR1A
SCHEMBL6622649 0.76 HTR1B (0.49) HTR1BALDH1A1KDM4EHPGDTSHR
SCHEMBL4986419 0.75 HTR1B (0.65) HTR1BGPR35ALDH1A1KDM4ETSHR
SCHEMBL4985894 0.74 HTR1B (0.65) HTR1BGPR35ALDH1A1KDM4EHTR1A
SCHEMBL5320835 0.74 KDM4E (0.47) HTR1BGPR35ALOX15ALDH1A1KDM4E
SCHEMBL4988701 0.69 HTR1B (0.42) HTR1BGPR35ALDH1A1KDM4EHPGD
Hydrochloric Acid SCHEMBL6080168 0.69 HTR6 (0.45) HTR1BALDH1A1KDM4EHTR1AHTR1D
SCHEMBL6593434 0.68 ALDH1A1 (0.49) HTR1BALDH1A1TSHRHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-20080076759-A1 Therapeutic Heterocyclic Compounds 507 ASTRAZENECA AB (SE) 2008-03-27 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-7285662-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2007-10-23 US disclosed
US-20060178372-A1 Therapeutic quinoline compounds ASTRAZENECA AB (SE) 2006-08-10 US disclosed
US-7045514-B2 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2006-05-16 US disclosed
US-20040082591-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2004-04-29 US disclosed
EP-1353914-A2 THERAPEUTIC CHROMONE COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353913-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
EP-1353915-A2 THERAPEUTIC CHROMAN COMPOUNDS AstraZeneca AB (SE) 2003-10-22 EP disclosed
WO-2003037872-A1 THERAPEUTIC QUINOLINE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
WO-2003037871-A1 THERAPEUTIC QUINOLONE COMPOUNDS WITH 5-HT-ANTAGONISTIC PROPERTIES ASTRAZENECA AB (SE) 2003-05-08 WO disclosed
US-20030013708-A1 Therapeutic heterocyclic compounds ASTRAZENECA AB (SE) 2003-01-16 US disclosed
WO-2002055013-A2 THERAPEUTIC CHROMONE COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055012-A2 THERAPEUTIC HETEROCYCLIC COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO disclosed
WO-2002055014-A2 THERAPEUTIC CHROMAN COMPOUNDS ASTRAZENECA AB (SE) 2002-07-18 WO 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 (4 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-20080076759-A1 Therapeutic Heterocyclic Compounds 507 HTR1A, HTR1B, HTR1D HTR1B 2/4885GPR35 113/4885ALOX15 1121/4885
US-20060178372-A1 Therapeutic quinoline compounds HTR1B, HTR3B, HTR1A HTR1B 1/4885GPR35 326/4885ALOX15 1997/4885
US-20030013708-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885GPR35 251/4885ALOX15 734/4885
US-20040082591-A1 Therapeutic heterocyclic compounds HTR1A, HTR1D, HTR1B HTR1B 3/4885GPR35 204/4885ALOX15 700/4885

“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.