SCHEMBL3330098

SCHEMBL3330098

O=C(NC1CC1)[C@H]1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.48
PRCP P42785 2/20 0.47
DPP7 Q9UHL4 1/20 0.45
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
POLB P06746 1/20 0.44
NOS2 P35228 2/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
HTR2C P28335 3/20 0.41
HTR2B P41595 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
DPP4 P27487 2/20 0.40
EPHX1 P07099 1/20 0.39
MELK Q14680 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
CTSC P53634 1/20 0.38

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
SCHEMBL3332602 1.00 SCN4A (0.48) SCN4APRCPDPP7ARG1ARG2
SCHEMBL3673723 1.00 SCN4A (0.48) SCN4APRCPDPP7ARG1ARG2
Hydrochloric Acid SCHEMBL952803 0.98 SCN4A (0.50) SCN4APRCPDPP7ARG1ARG2
Hydrochloric Acid SCHEMBL955405 0.98 SCN4A (0.50) SCN4APRCPDPP7ARG1ARG2
Hydrochloric Acid SCHEMBL3636670 0.98 SCN4A (0.50) SCN4APRCPDPP7ARG1ARG2
SCHEMBL3669478 0.94 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL17676964 0.94 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL3333289 0.94 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL953074 0.94 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2
SCHEMBL3633992 0.94 SCN4A (0.47) SCN4APRCPDPP7ARG1ARG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
US-6599902-B2 For treating or preventing a protein kinase related disorder SUGEN, INC. 2003-07-29 US disclosed
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. 2003-07-03 US disclosed
WO-2002096361-A2 5-ARALKYLSULFONYL-3- (PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS SUGEN, INC. (US) 2002-12-05 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 (3 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-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 SCN4A 1347/4885PRCP 1192/4885DPP7 3019/4885
US-20030125370-A1 5-ARALKYSUFONYL-3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES AS KINASE INHIBITORS DMPK, ADK, MAP3K20 SCN4A 4308/4885PRCP 2180/4885DPP7 1198/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN SCN4A 4219/4885PRCP 602/4885DPP7 367/4885

“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.