SCHEMBL4322893

SCHEMBL4322893

CC(N)CC(=O)NC1CCC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
RAB9A P51151 1/20 0.51
SMYD3 Q9H7B4 8/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
EPHX1 P07099 3/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL15085653 0.92 SMYD3 (0.56) HPGDCYP3A4CYP2C19RAB9ASMYD3
SCHEMBL6876246 0.92 SMYD3 (0.56) HPGDCYP3A4CYP2C19RAB9ASMYD3
SCHEMBL11890370 0.84 RAB9A (0.54) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL5907681 0.82 HPGD (0.53) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL24838602 0.81 HPGD (0.51) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL11890375 0.80 RAB9A (0.58) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL8241745 0.78 EPHX1 (0.58) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL5907615 0.78 HPGD (0.57) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL5907626 0.77 HPGD (0.55) HPGDCYP3A4CYP2C19RAB9ASMN1; SMN2
SCHEMBL14748252 0.77 HPGD (0.55) HPGDCYP3A4CYP2C19RAB9ASMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (6 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 HPGD 3603/4885CYP3A4 2429/4885CYP2C19 1140/4885
US-20120214789-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 HPGD 2742/4885CYP3A4 1088/4885CYP2C19 649/4885
US-10201525-B2 Tetrazole-substituted arylamides as PX2 and PX2/3 antagonists P2RX2, P2RX3, TPX2 HPGD 3629/4885CYP3A4 2485/4885CYP2C19 1169/4885
US-20150191487-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 HPGD 2742/4885CYP3A4 1088/4885CYP2C19 649/4885
US-20090326220-A1 Tetrazole-Substituted Arylamides as P2X3 and P2X2/3 Antagonists P2RX3, P2RX2, P2RX5 HPGD 2742/4885CYP3A4 1088/4885CYP2C19 649/4885
US-20080004442-A1 Tetrazole-substituted arylamides as P2X3 and P2X2/3 antagonists P2RX3, P2RX2, P2RX5 HPGD 2742/4885CYP3A4 1088/4885CYP2C19 649/4885

“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.