SCHEMBL10124285

SCHEMBL10124285

Cc1ccc2c(cnn2-c2ccc(F)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 17/20 0.50
PGR P06401 5/20 0.49
CYP17A1 P05093 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP11B2 P19099 1/20 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
SCHEMBL29455838 0.81 NR3C1 (0.48) NR3C1PGRCYP11B2
SCHEMBL21057611 0.81 NR3C1 (0.48) NR3C1PGRCYP11B2
SCHEMBL10124514 0.78 NR3C1 (0.49) NR3C1PGRCYP11B2
SCHEMBL15485207 0.77 PGR (0.53) NR3C1PGRCYP11B2
SCHEMBL15485188 0.76 NR3C1 (0.47) NR3C1PGR
SCHEMBL22225746 0.75 NR3C1 (0.74) NR3C1PGRCYP11B2
SCHEMBL15485104 0.75 CYP11B1 (0.50) NR3C1CYP11B2
SCHEMBL10124275 0.73 NR3C1 (0.49) NR3C1PGRCYP17A1CYP1A2
SCHEMBL5135413 0.73 CYP11B2 (0.71) NR3C1PGRCYP11B2
SCHEMBL24924163 0.72 NR3C1 (0.60) NR3C1PGRCYP1A2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2018-12-27 US disclosed
EP-2888261-B1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX INC (US) 2018-04-18 EP disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. 2016-07-07 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
US-9181241-B2 Antagonists of chemokine receptors CHEMOCENTRYX, INC. (US) 2015-11-10 US disclosed
EP-2655371-B1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-02-25 EP disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CHEMOCENTRYX, INC. (US) 2014-02-27 US disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-8546442-B2 Pyrazolopiperidine compounds as CCR1 receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012087782-A1 PYRAZOLOPIPERIDINE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 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-20160193191-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 NR3C1 122/4885PGR 1391/4885CYP17A1 3446/4885
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 NR3C1 122/4885PGR 1391/4885CYP17A1 3446/4885
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NR3C1 181/4885PGR 1354/4885CYP17A1 2315/4885
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 NR3C1 122/4885PGR 1391/4885CYP17A1 3446/4885

“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.