SCHEMBL4686478

SCHEMBL4686478

CN(Cc1ccccc1)C[C@H]1CC[C@H](N)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
PRMT8 Q9NR22 1/20 0.47
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
BLM P54132 1/20 0.45
AOC3 Q16853 1/20 0.44
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
PYCR1 P32322 1/20 0.42
OPRL1 P41146 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC18A3 Q16572 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39

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
SCHEMBL14045705 0.91 ALDH1A1 (0.52) CARM1PRMT6PRMT8ALDH1A1LMNA
SCHEMBL8283980 0.85 ALDH1A1 (0.46) CARM1PRMT6PRMT8ALDH1A1LMNA
SCHEMBL31716232 0.85 CARM1 (0.49) CARM1PRMT6PRMT8ALDH1A1LMNA
SCHEMBL522763 0.83 SLC18A3 (0.49) CARM1PRMT6PRMT8ALDH1A1LMNA
SCHEMBL5651526 0.80 GBA1 (0.56) CARM1PRMT6PRMT8ALDH1A1LMNA
SCHEMBL1191857 0.80 HTT (0.54) CARM1PRMT6PRMT8ALDH1A1LMNA
Hydrochloric Acid SCHEMBL18062690 0.78 GRIN2B (0.52) CARM1PRMT6PRMT8ALDH1A1AOC3
SCHEMBL393116 0.78 HDAC1 (0.52) LMNATSHRKDM4E
SCHEMBL5030087 0.78 HDAC1 (0.52) LMNATSHRKDM4E
SCHEMBL4267535 0.77 CXCR3 (0.41) ALDH1A1LMNATSHRCYP3A4MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727812-B1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INT (DE) 2008-12-31 EP disclosed
US-7262206-B2 Cycloalkyl—containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-28 US disclosed
EP-1727812-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS Boehringer Ingelheim International GmbH (DE) 2006-12-06 EP disclosed
WO-2005087761-A1 NOVEL CYCLOALKYL-CONTAINING 5-ACYLINDOLINONES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICAL PRODUCTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-22 WO disclosed
US-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 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-20050203104-A1 Cycloalkyl - containing 5-acylindolinones, the preparation thereof and their use as medicaments GSK3B, GSK3A, CSNK1G3 CARM1 1948/4885PRMT6 1776/4885PRMT8 1320/4885

“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.