SCHEMBL2384259

SCHEMBL2384259

CCCCc1nnc(OC2CCN(CCO)CC2)cc1-c1ccc(OC2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
CTSB P07858 2/20 0.43
CTSS P25774 2/20 0.43
HRH3 Q9Y5N1 4/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CYP2D6 P10635 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
PARP1 P09874 1/20 0.36
ESR1 P03372 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TGFBR1 P36897 1/20 0.35
ACVR1 Q04771 1/20 0.35
AGER Q15109 1/20 0.35

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 SCHEMBL2354561 0.99 CTSL (0.42) CTSLCTSBCTSSHRH3MAOA
SCHEMBL2380931 0.91 CTSL (0.43) CTSLCTSBCTSSHRH3MAOA
SCHEMBL2344152 0.91 TGFBR1 (0.43) CTSLCTSBCTSSHRH3MAOA
Hydrochloric Acid SCHEMBL2343672 0.90 CTSL (0.43) CTSLCTSBCTSSHRH3MAOA
Hydrochloric Acid SCHEMBL2348364 0.90 TGFBR1 (0.43) CTSLCTSBCTSSHRH3MAOA
SCHEMBL2383281 0.89 TGFBR1 (0.44) CTSLCTSBCTSSHRH3MAOA
SCHEMBL2350678 0.89 HRH3 (0.43) CTSLCTSBCTSSHRH3MAOA
SCHEMBL2381979 0.89 MAOA (0.37) CTSLCTSBCTSSHRH3MAOA
SCHEMBL2382089 0.89 TGFBR1 (0.40) CTSLCTSBCTSSHRH3CYP2D6
SCHEMBL2382115 0.89 TGFBR1 (0.40) CTSLCTSBCTSSHRH3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP claimed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US claimed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US claimed
US-8741900-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2014-06-03 US claimed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US claimed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US claimed
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
EP-2536283-B1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA LLC (US) 2015-07-29 EP disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-9045461-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-06-02 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, LLC (US) 2014-07-24 US disclosed
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-08-01 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
US-8431575-B2 Phenyl-heteroaryl derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-04-30 US disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 US disclosed
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF TRANSTECH PHARMA, INC. (US) 2011-09-22 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 (3 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-20140206660-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, NOD2, GPBAR1 CTSL 1665/4885CTSB 1227/4885CTSS 1276/4885
US-20110230458-A1 PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF AGER, PSEN2, PSEN1 CTSL 2004/4885CTSB 1318/4885CTSS 1355/4885
US-20130197007-A1 Phenyl-Heteroaryl Derivatives and Methods of Use Thereof AGER, PSEN2, PSEN1 CTSL 2004/4885CTSB 1318/4885CTSS 1355/4885

“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.