SCHEMBL4857534

SCHEMBL4857534

CCn1cc(C2CCN(CC(=O)Nc3scc(C)c3C#N)C2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
HRH2 P25021 8/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5206008 0.89 HRH2 (0.41) DRD4MAPTHRH2MEN1POLB
SCHEMBL5203876 0.68 ALDH1A1 (0.39) DRD4TSHRHRH2ALDH1A1MEN1
SCHEMBL5202510 0.67 HSD11B1 (0.55) HRH2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5202270 0.67 MAPT (0.43) DRD4LMNARAB9AMAPTALDH1A1
SCHEMBL14559252 0.65 KDM4E (0.51) HRH2KDM4EALDH1A1HSD17B10MEN1
SCHEMBL5202100 0.65 ALDH1A1 (0.51) HRH2ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL5203757 0.63 NPC1 (0.57) RAB9AHRH2KDM4EALDH1A1MEN1
SCHEMBL4852959 0.63 SMN1; SMN2 (0.53) TSHRLMNAHRH2ALDH1A1POLB
SCHEMBL5205358 0.63 ALDH1A1 (0.45) HRH2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL5204533 0.62 ALDH1A1 (0.46) TSHRRAB9AMAPTHRH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US claimed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP claimed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 US claimed
US-7368470-B2 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2008-05-06 US disclosed
EP-1654253-B1 SUBSTITUTED 3-PYRROLIDIN-INDOLE DERIVATIVES GRUENENTHAL GMBH (DE) 2007-01-03 EP disclosed
US-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives GRUENENTHAL GMBH (DE) 2005-05-05 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-20050096376-A1 Substituted 3-pyrrolidine-indole derivatives OPRD1, OPRK1, TPH1 DRD4 61/4885TSHR 3318/4885LMNA 3265/4885

“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.