SCHEMBL1615465

SCHEMBL1615465

CC(C)C1Cc2ccccc2CCN1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 4/20 0.56
PNMT P11086 4/20 0.46
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
HTR2C P28335 1/20 0.43
GAA P10253 1/20 0.40
CD44 P16070 1/20 0.39
MAOB P27338 1/20 0.39
GID4 Q8IVV7 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
SCHEMBL31158806 0.81 PNMT (0.67) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL12741563 0.81 PNMT (0.67) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL31158866 0.81 PNMT (0.67) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL13416396 0.81 PNMT (0.67) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL1615700 0.78 CHRNB2 (0.50) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL5766795 0.76 HTR2C (0.50) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL15849170 0.76 PNMT (0.52) PRCPPNMTADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL11458153 0.75 HTR2C (0.48) PRCPPNMTADRA2AADRA2BADRA2C
SCHEMBL20341218 0.74 PRCP (0.58) PRCPPNMTHTR2C
1,2,3,4-Tetrahydroisoquinoline SCHEMBL4782212 0.73 PNMT (0.56) PRCPPNMTADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-08-11 US disclosed
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2019-02-21 US disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 US disclosed
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith TRANSTECH PHARMA, INC. (US) 2009-02-05 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PRCP 1508/4885PNMT 2764/4885ADRA2A 941/4885
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith AGER, APP, BACE1 PRCP 651/4885PNMT 796/4885ADRA2A 147/4885
US-10738030-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SCNN1G PRCP 664/4885PNMT 4206/4885ADRA2A 607/4885
US-20190055220-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G PRCP 664/4885PNMT 4206/4885ADRA2A 607/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PRCP 1858/4885PNMT 2973/4885ADRA2A 983/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B PRCP 1858/4885PNMT 2973/4885ADRA2A 983/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B PRCP 1858/4885PNMT 2973/4885ADRA2A 983/4885

“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.