SCHEMBL2171709

SCHEMBL2171709

Cn1cncc1CCCN

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.37
HRH4 Q9H3N8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
CYP2A6 P11509 2/20 0.36
CHRM4 P08173 2/20 0.36
CHRM1 P11229 2/20 0.36
CYP2C9 P11712 2/20 0.36
CHRM3 P20309 2/20 0.36
LMNA P02545 2/20 0.36
CHRM2 P08172 1/20 0.36
CNR1 P21554 1/20 0.36
HTR2A P28223 1/20 0.36
CYP2A13 Q16696 1/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL946729 0.88
Hydrochloric Acid SCHEMBL6773706 0.86 TDP1 (0.41) CHRM5HRH4HRH3CYP2A6CHRM4
Hydrochloric Acid SCHEMBL3001559 0.86 TDP1 (0.41) CHRM5HRH4HRH3CYP2A6CHRM4
SCHEMBL10425365 0.83 CHRM5 (0.43) CHRM5CYP2A6CHRM4CHRM1CYP2C9
SCHEMBL4301227 0.82 TBXAS1 (0.44) CHRM5CYP2A6CHRM4CHRM1CYP2C9
SCHEMBL19441267 0.80 TBXAS1 (0.50) CHRM5CYP2A6CHRM4CHRM1CYP2C9
SCHEMBL240920 0.79
SCHEMBL22788407 0.78 TBXAS1 (0.53) CHRM5CYP2A6CHRM4CHRM1CYP2C9
SCHEMBL14028859 0.78 TBXAS1 (0.53) CHRM5CYP2A6CHRM4CHRM1CYP2C9
SCHEMBL16373637 0.78 CHRM5 (0.36) CHRM5CYP2A6CHRM4CHRM1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. (US) 2016-06-02 US disclosed
EP-2346868-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-27 EP disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
US-20070213340-A1 Farnesyl protein transferase inhibitors SCHERING CORPORATION 2007-09-13 US disclosed
WO-2007084498-A1 PIPERAZINE DERIVATIVES AS FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 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 (2 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-20070213340-A1 Farnesyl protein transferase inhibitors FNTB, FNTA, FDPS CHRM5 4138/4885HRH4 2441/4885HRH3 3867/4885
US-20160151335-A1 METHODS OF MODULATING CFTR ACTIVITY CFTR, HSP90B1, SERPINB1 CHRM5 3257/4885HRH4 1992/4885HRH3 3764/4885

“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.