SCHEMBL3533651

SCHEMBL3533651

CNC(=O)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.77
NPC1 O15118 2/20 0.77
RAB9A P51151 2/20 0.77
HTT P42858 1/20 0.72
CYP2C19 P33261 1/20 0.70
ENPP2 Q13822 2/20 0.62
GRIN2B Q13224 6/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP2D6 P10635 4/20 0.55
CYP2C9 P11712 4/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
LTA4H P09960 1/20 0.53
STS P08842 1/20 0.52
CYP3A4 P08684 3/20 0.52

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
SCHEMBL7001136 0.88 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2899016 0.87 SMN1; SMN2 (0.74) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL2712060 0.87 SMN1; SMN2 (0.77) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL21898011 0.86 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL11750711 0.86 ENPP2 (0.78) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL485156 0.85 SMN1; SMN2 (0.75) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL4130473 0.85 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL895978 0.85 HTT (0.77) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL5217115 0.85 SMN1; SMN2 (0.71) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL1939902 0.85 SMN1; SMN2 (0.79) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
US-8445518-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2013-05-21 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. (US) 2010-06-17 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-7683176-B2 Triazolyl pyridyl benzenesulfonamides CHEMOCENTRYX, INC. (US) 2010-03-23 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
US-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CHEMOCENTRYX, INC. 2008-02-14 US disclosed
EP-0625509-B1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LTD (GB) 1997-07-30 EP disclosed
EP-0625509-A1 N-alkyl substituted piperidine-derivatives with neurokinin receptor antagonist activity ZENECA LIMITED (GB) 1994-11-23 EP 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-20080039504-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SMN1; SMN2 2093/4885NPC1 1859/4885RAB9A 2024/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA SMN1; SMN2 4237/4885NPC1 4598/4885RAB9A 1891/4885
US-20100152186-A1 TRIAZOLYL PYRIDYL BENZENESULFONAMIDES CCR9, CCR2, CCR1 SMN1; SMN2 2093/4885NPC1 1859/4885RAB9A 2024/4885

“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.