SCHEMBL6764658

SCHEMBL6764658

Cc1ccc(CC(=O)NC2(C#N)CCN(C)CC2)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
OPRM1 P35372 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
P2RX7 Q99572 3/20 0.36
CTSL P07711 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 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
SCHEMBL6767098 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8862910 0.88 RXFP1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6850654 0.87 MEN1 (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8862892 0.87 RXFP1 (0.47) ALDH1A1NPC1RXFP1
SCHEMBL8862698 0.87 RXFP1 (0.47) ALDH1A1NPC1RXFP1
SCHEMBL8862680 0.87 RXFP1 (0.47) ALDH1A1NPC1RXFP1
SCHEMBL6850649 0.85 CTSL (0.39) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL6771158 0.84 ALOX15 (0.40) ALDH1A1OPRM1NPC1CTSLRXFP1
SCHEMBL6767273 0.81 NPC1 (0.41) MEN1KMT2ANPC1RAB9AFPR3
SCHEMBL6764649 0.81 KMT2A (0.46) KMT2AP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6774133-B2 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2004-08-10 US disclosed
US-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides FISCHER REINER (DE) 2004-01-15 US disclosed
US-6555567-B1 2-oxo-3-aryl-4-hydroxy-1-aza-8-thiaspiro(4.5)decane derivatives of given formula; use as arthropodicide or nematicide BAYER AKTIENGESELLSCHAFT (DE) 2003-04-29 US disclosed
US-5981567-A ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 1999-11-09 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 (1 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-20040009999-A1 Substituted spiroheterocyclic 1H-3-aryl-pyrrolidine-2,4-dione derivatives, processes for their preparation, and their use as pesticides DDT, HPD, CAT MEN1 2795/4885KMT2A 1459/4885ALDH1A1 382/4885

“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.