SCHEMBL3465162

SCHEMBL3465162

COc1cc(N2CCNC(C)C2)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
PPOX P50336 2/20 0.47
BRPF1 P55201 2/20 0.40
BRD4 O60885 1/20 0.40
HTR2C P28335 4/20 0.39
HTR2B P41595 4/20 0.39
HTR2A P28223 3/20 0.39
BCL6 P41182 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
SUV39H2 Q9H5I1 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
BCL2A1 Q16548 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL3465161 1.00 ALDH1A1 (0.48) ALDH1A1LMNAPPOXBRPF1BRD4
Hydrochloric Acid SCHEMBL1639442 0.99 ALDH1A1 (0.50) ALDH1A1LMNAPPOXBRPF1BRD4
Hydrochloric Acid SCHEMBL1639438 0.99 ALDH1A1 (0.50) ALDH1A1LMNAPPOXBRPF1BRD4
SCHEMBL8108211 0.89 BRPF1 (0.43) ALDH1A1LMNABRPF1BRD4HTR2C
SCHEMBL2875334 0.88 ALDH1A1 (0.54) ALDH1A1LMNABRPF1BRD4HTR2C
SCHEMBL2875332 0.88 ALDH1A1 (0.54) ALDH1A1LMNABRPF1BRD4HTR2C
SCHEMBL13682949 0.84 BRPF1 (0.42) ALDH1A1LMNABRPF1BRD4HTR2C
SCHEMBL1639662 0.82 HTR3E (0.56) ALDH1A1LMNAPPOXHTR2CHTR2A
SCHEMBL8116397 0.81 MEN1 (0.39) ALDH1A1LMNABRPF1BRD4KDM4E
Hydrochloric Acid SCHEMBL1639314 0.81 HTR3A (0.55) ALDH1A1LMNAPPOXHTR2CHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
EP-1691810-A4 SUBSTITUTED PIPERAZINES CHEMOCENTRYX INC (US) 2009-07-01 EP disclosed
EP-1691810-A1 SUBSTITUTED PIPERAZINES ChemoCentryx Inc (US) 2006-08-23 EP disclosed
US-20060106218-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2006-05-18 US disclosed
WO-2005056015-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2005-06-23 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 (2 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-20060106218-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALDH1A1 951/4885LMNA 4351/4885PPOX 4867/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ALDH1A1 951/4885LMNA 4351/4885PPOX 4867/4885

“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.