SCHEMBL13754264

SCHEMBL13754264

COc1cc(C2(C(=O)O)CCNCC2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SELP P16109 4/20 0.43
SELL P14151 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
APP P05067 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
AKR1C3 P42330 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
AKR1C2 P52895 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
OPRM1 P35372 1/20 0.40

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
SCHEMBL30223684 0.90 AKR1C3 (0.50) LMNASELPSELLMEN1KMT2A
SCHEMBL1466204 0.90 AKR1C3 (0.50) LMNASELPSELLMEN1KMT2A
SCHEMBL17713171 0.87 LMNA (0.57) LMNASELPSELLMEN1KMT2A
SCHEMBL3068577 0.80 DRD2 (0.54) CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3066723 0.79 DRD2 (0.53) CYP3A4CYP2C9CYP2C19
SCHEMBL1465409 0.79 LMNA (0.49) LMNASELPSELLMEN1KMT2A
SCHEMBL23215007 0.78 SIGMAR1 (0.39) CYP3A4OPRM1
SCHEMBL29768395 0.78 SIGMAR1 (0.39) CYP3A4OPRM1
SCHEMBL13754275 0.77 SLC6A2 (0.39) CYP3A4CYP2C9CYP2C19
SCHEMBL15897794 0.77 LMNA (0.48) LMNASELPSELLMEN1KMT2A

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
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO 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-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 LMNA 3293/4885SELP 1047/4885SELL 731/4885

“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.