SCHEMBL4322110

SCHEMBL4322110

COc1ccc([C@@H](C)N)nn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.42
TAAR1 Q96RJ0 1/20 0.39
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CD274 Q9NZQ7 5/20 0.32
PDCD1LG2 Q9BQ51 3/20 0.32
SLC6A4 P31645 1/20 0.31
PDCD1 Q15116 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
APLNR P35414 2/20 0.30
TXNRD1 Q16881 1/20 0.30

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
SCHEMBL4324047 1.00 NNMT (0.42) NNMTTAAR1KDM4ELMNACYP2C19
SCHEMBL10220140 0.82 NNMT (0.41) NNMTTAAR1KDM4ELMNACYP2C19
SCHEMBL24920773 0.78 NNMT (0.42) NNMTKDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL24384648 0.78 NNMT (0.42) NNMTKDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL16563365 0.78 NNMT (0.39) NNMTKDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL24468311 0.76
SCHEMBL15633594 0.76 NNMT (0.39) NNMTKDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL29795195 0.75 NNMT (0.54) NNMTKDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL353814 0.75 NNMT (0.54) NNMTKDM4ELMNACYP2C19SMN1; SMN2
SCHEMBL29457175 0.75 NNMT (0.53) NNMTKDM4ELMNACYP2C19SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF HANGZHOU WESTAN PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2023-11-09 US disclosed
EP-4079725-A1 N-CARBOXAMIDOPYRAZOLINE DERIVATIVE SERVING AS P2X3 RECEPTOR ANTAGONIST AND APPLICATIONS Hangzhou Westan Pharmaceutical Technology Co., Ltd. (CN) 2022-10-26 EP disclosed
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists ROCHE PALO ALTO LLC (US) 2019-02-12 US disclosed
US-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS ROCHE PALO ALTO LLC (US) 2017-05-25 US disclosed
US-9593128-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists HOFFMANN-LA ROCHE INC. (US) 2017-03-14 US disclosed
EP-2038264-B1 TETRAZOLE-SUBSTITUTED ARYLAMIDES HOFFMANN LA ROCHE (CH) 2016-10-26 EP disclosed
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS GENENTECH, INC. (US) 2015-07-09 US disclosed
US-8846945-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists DILLON MICHAEL PATRICK (US) 2014-09-30 US disclosed
EP-2592070-A2 Tetrazole-substituted arylamides F. Hoffmann-La Roche AG (CH) 2013-05-15 EP disclosed
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2012-08-23 US disclosed
US-8193368-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2012-06-05 US disclosed
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists DILLON MICHAEL PATRICK 2009-12-31 US disclosed
US-7595405-B2 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2009-09-29 US disclosed
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC 2008-01-03 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-20170143672-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS PX2 AND PX2/3 ANTAGONISTS P2RX2, P2RX3, TPX2 NNMT 4038/4885TAAR1 155/4885KDM4E 3543/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NNMT 3678/4885TAAR1 157/4885KDM4E 3644/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 NNMT 4098/4885TAAR1 150/4885KDM4E 3508/4885
US-20230357218-A1 N-FORMAMIDOPYRAZOLINE DERIVATIVE AS P2X3 RECEPTOR ANTAGONIST AND USE THEREOF P2RX3, P2RX4, P2RX7 NNMT 899/4885TAAR1 1017/4885KDM4E 4662/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NNMT 3678/4885TAAR1 157/4885KDM4E 3644/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 NNMT 3678/4885TAAR1 157/4885KDM4E 3644/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 NNMT 3678/4885TAAR1 157/4885KDM4E 3644/4885

“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.