SCHEMBL1615700

SCHEMBL1615700

CC(C)C1Cc2ccncc2CCN1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
SIGMAR1 Q99720 1/20 0.42
ADRA2A P08913 2/20 0.41
PNMT P11086 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
PRCP P42785 2/20 0.38
RECQL P46063 1/20 0.36
CHRNA7 P36544 1/20 0.32
CDC7 O00311 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL27010606 0.84 PNMT (0.54) CHRNB2CHRNA4SIGMAR1ADRA2APNMT
SCHEMBL15479699 0.81 PNMT (0.50) CHRNB2CHRNA4SIGMAR1ADRA2APNMT
SCHEMBL13348988 0.80 CHRNB2 (0.56) CHRNB2CHRNA4SIGMAR1ADRA2APNMT
SCHEMBL1615465 0.78 PRCP (0.56) ADRA2APNMTADRA2BADRA2CPRCP
SCHEMBL24316297 0.74 PRCP (0.60) CHRNB2CHRNA4SIGMAR1PRCPRECQL
SCHEMBL27010603 0.74 PRCP (0.60) CHRNB2CHRNA4SIGMAR1PRCPRECQL
SCHEMBL25898868 0.72 CDC7 (0.39) CHRNB2CHRNA4SIGMAR1ADRA2APNMT
SCHEMBL12907274 0.72 SIGMAR1 (0.46) CHRNB2CHRNA4SIGMAR1CHRNA7HTR2A
SCHEMBL16171322 0.71 SIGMAR1 (0.42) CHRNB2CHRNA4SIGMAR1CHRNA7
SCHEMBL19200207 0.68 CHRNB2 (1.00) CHRNB2CHRNA4SIGMAR1PNMTCHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-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 (5 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 CHRNB2 551/4885CHRNA4 611/4885SIGMAR1 3246/4885
US-20090035302-A1 Rage Antagonists As Agents To Reverse Amyloidosis And Diseases Associated Therewith AGER, APP, BACE1 CHRNB2 224/4885CHRNA4 459/4885SIGMAR1 2661/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885SIGMAR1 3440/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885SIGMAR1 3440/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B CHRNB2 505/4885CHRNA4 544/4885SIGMAR1 3440/4885

“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.