SCHEMBL2984091

SCHEMBL2984091

Cc1c(Cl)c(-c2ncco2)nn1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.39
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37
PTGDR2 Q9Y5Y4 6/20 0.35
RAB9A P51151 1/20 0.34
LTA4H P09960 2/20 0.34

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
SCHEMBL3465376 0.83 FPR2 (0.36) ALDH1A1TDP1LMNALTA4H
SCHEMBL3463168 0.78 ALDH1A1 (0.45) ALDH1A1GAALMNAPTGDR2RAB9A
SCHEMBL3463844 0.75 LMNA (0.42) ALDH1A1GAATDP1L3MBTL1LMNA
SCHEMBL14495077 0.74 CCR1 (0.42) ALDH1A1L3MBTL1
SCHEMBL13184123 0.74 ALDH1A1 (0.39) ALDH1A1GAALMNA
SCHEMBL13162715 0.74 ALDH1A1 (0.44) ALDH1A1GAATDP1PTGDR2RAB9A
SCHEMBL2982714 0.73 P2RX7 (0.38) ALDH1A1GAALMNA
SCHEMBL4455328 0.72 CCR1 (0.40) ALDH1A1L3MBTL1
SCHEMBL3464645 0.71 CCR1 (0.70)
SCHEMBL111808 0.70 ALDH1A1 (0.67) ALDH1A1GAAL3MBTL1LMNAPTGDR2

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
US-8324216-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2012-12-04 US disclosed
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-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-20100240618-A1 SUBSTITUTED PIPERAZINES CHEMOCENTRYX, INC. (US) 2010-09-23 US disclosed
US-7786157-B2 OXO-imidazolidines as modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-31 US disclosed
US-7786157-B2 OXO-imidazolidines as modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-31 US disclosed
US-7786157-B2 OXO-imidazolidines as modulators of chemokine receptors CHEMOCENTRYX, INC. (US) 2010-08-31 US disclosed
US-7589199-B2 Substituted piperazines CHEMOCENTRYX, INC. (US) 2009-09-15 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
WO-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO 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-2007044885-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
WO-2007027734-A2 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX, INC. (US) 2007-03-08 WO 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
US-20050256130-A1 Substituted piperazines CHEMOCENTRYX, INC. (US) 2005-11-17 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 (4 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 951/4885GAA 3861/4885TDP1 3835/4885
US-20050256130-A1 Substituted piperazines CCR1, CCR3, CCRL2 ALDH1A1 951/4885GAA 3861/4885TDP1 3835/4885
US-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 ALDH1A1 803/4885GAA 3477/4885TDP1 3259/4885
US-20100240618-A1 SUBSTITUTED PIPERAZINES CCR1, CCR3, CCRL2 ALDH1A1 951/4885GAA 3861/4885TDP1 3835/4885

“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.