SCHEMBL441502

SCHEMBL441502

CC(C)CCCCN1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
DRD1 P21728 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL441440 0.94 GBA1 (0.51) GBA1ALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL26375600 0.89 LMNA (0.43) GBA1SMN1; SMN2TP53LMNASIGMAR1
SCHEMBL27057345 0.87 GBA1 (0.43) GBA1SMN1; SMN2TP53LMNASIGMAR1
SCHEMBL1810789 0.87 HRH3 (0.46) GBA1SMN1; SMN2TP53LMNAHRH3
SCHEMBL439524 0.85 ALDH1A1 (0.46) GBA1ALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL21016191 0.84 HTR7 (0.40) GBA1ALDH1A1SMN1; SMN2TP53KMT2A
SCHEMBL21015501 0.83 HTR7 (0.42) GBA1ALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL105381 0.83 PAOX (0.47) GBA1ALDH1A1SMN1; SMN2TP53LMNA
SCHEMBL25565620 0.82 GBA1 (0.46) GBA1SMN1; SMN2TP53LMNASIGMAR1
SCHEMBL24752794 0.81 PAOX (0.50) ALDH1A1SMN1; SMN2TP53LMNASIGMAR1

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890198-B2 Cyclosporin derivatives and uses thereof S&T GLOBAL INC. (US) 2018-02-13 US disclosed
EP-2646043-B1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC (US) 2017-02-15 EP disclosed
US-9290503-B2 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION (US) 2016-03-22 US disclosed
US-9273055-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-03-01 US disclosed
US-9249147-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2016-02-02 US disclosed
US-20150038536-A1 TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-02-05 US disclosed
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2015-01-08 US disclosed
US-8822500-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-09-02 US disclosed
US-8815906-B2 Tyrosine kinase inhibitors CHEMBRIDGE CORPORATION (US) 2014-08-26 US disclosed
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION (US) 2014-08-14 US disclosed
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS CHEMBRIDGE COPRPORATION 2013-02-28 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS CHEMBRIDGE CORPORATION 2012-03-22 US disclosed
US-20120065233-A1 TYROSINE KINASE INHIBITORS GREGOR VLAD EDWARD (US) 2012-03-15 US disclosed
US-8063225-B2 2-(4-(3-(2,4-Dimethylphenoxy)-2-hydroxypropylamino)-2-oxo-1,2-dihydropyridin-3-yl)-6-(1-methylpiperidin-4-yl)-6,7-dihydroimidazo[4,5-f]isoindol-5(1H)-one; modulating tyrosine kinase; enzyme inhibitors; cancer, diabetes, restenosis, arteriosclerosis, psoriasis, angiogenic diseases, immunologic disorders CHEMBRIDGE CORPORATION (US) 2011-11-22 US disclosed
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders CHEMBRIDGE CORPORATION 2008-07-17 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 (7 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-20120071473-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP GBA1 279/4885ALDH1A1 1899/4885KDM4E 4181/4885
US-20150038536-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 GBA1 1047/4885ALDH1A1 1243/4885KDM4E 1033/4885
US-20140228350-A1 TRICYCLIC COMPOUND DERIVATIVES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY DISORDERS AND IMMUNOMODULATORY DISORDERS MALT1, TPMT, TSLP GBA1 279/4885ALDH1A1 1899/4885KDM4E 4181/4885
US-20080171769-A1 Tricyclic compound derivatives useful in the treatment of neoplastic diseases, inflammatory disorders and immunomodulatory disorders MALT1, TPMT, TSLP GBA1 279/4885ALDH1A1 1899/4885KDM4E 4181/4885
US-20150011539-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 GBA1 2369/4885ALDH1A1 2215/4885KDM4E 1871/4885
US-20120065233-A1 TYROSINE KINASE INHIBITORS ALK, ROS1, ABL1 GBA1 1047/4885ALDH1A1 1243/4885KDM4E 1033/4885
US-20130053376-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, RET, TTBK1 GBA1 2369/4885ALDH1A1 2215/4885KDM4E 1871/4885

“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.