SCHEMBL4019955

SCHEMBL4019955

O=C(c1ccccc1)[C@H]1CN(Cc2ccccc2)C[CH][C@@H]1c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.57
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
EP300 Q09472 1/20 0.45
S1PR5 Q9H228 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
S1PR1 P21453 1/20 0.43
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM4E B2RXH2 1/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
FUCA1 P04066 2/20 0.41

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
SCHEMBL4019459 1.00 RORC (0.57) RORCALDH1A1MEN1LMNAMAPT
SCHEMBL6998474 0.82 RORC (0.68) RORCALDH1A1MEN1LMNAMAPT
SCHEMBL4028522 0.82 RORC (0.46) RORCALDH1A1MEN1LMNAMAPT
SCHEMBL4022773 0.82 RORC (0.64) RORCALDH1A1MEN1LMNAMAPT
SCHEMBL4772415 0.82 RORC (0.64) RORCALDH1A1MEN1LMNAMAPT
SCHEMBL16033505 0.81 RORC (0.83) RORCALDH1A1MEN1LMNAMAPT
SCHEMBL4025447 0.81 RORC (0.40) RORCALDH1A1MEN1LMNAMAPK1
SCHEMBL4021517 0.80 HRH3 (0.42) RORCALDH1A1MEN1LMNAKMT2A
SCHEMBL4780139 0.80 HRH3 (0.42) RORCALDH1A1MEN1LMNAKMT2A
SCHEMBL4020945 0.80 ALDH1A1 (0.51) ALDH1A1LMNAMAPTKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
US-20070161674-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. 2007-07-12 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-20070161674-A1 Certain chemical entities, compositions, and methods TP53, VHL, RB1 RORC 183/4885ALDH1A1 258/4885MEN1 77/4885

“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.