SCHEMBL10124280

SCHEMBL10124280

Clc1ccc(-n2ncc3c2CCCN3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
PTGS2 P35354 6/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.36
PTGS1 P23219 3/20 0.36
PDK2 Q15119 1/20 0.36
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRA2 P47869 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL9959116 0.85 KDM4E (0.37) CA1CA2CA4KDM4EALDH1A1
SCHEMBL9959903 0.84 USP7 (0.40) CA1CA2CA4PTGS2POLB
SCHEMBL10124195 0.84 CYP1A2 (0.39) POLBHPGDMAPTALDH1A1DRD3
SCHEMBL9958942 0.82 KDM4E (0.37) CA1CA2CA4KDM4EALDH1A1
SCHEMBL9958918 0.75 KDM4E (0.39) KDM4EALDH1A1LMNAPDK2TP53
SCHEMBL18387722 0.74 USP7 (0.42) POLBSMN1; SMN2HPGDNPC1RAB9A
SCHEMBL10124091 0.72 NPC1 (0.37) CA1CA2CA4PTGS2SMN1; SMN2
SCHEMBL2357504 0.70 PDK2 (0.43) CA1CA2CA4PTGS2SMN1; SMN2
SCHEMBL19031814 0.70 CA1 (0.72) CA1CA2CA4PTGS2SMN1; SMN2
SCHEMBL10124298 0.70 GPR52 (0.34)

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 CA1 3181/4885CA2 3729/4885CA4 4076/4885
US-20180369213-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 CA1 3181/4885CA2 3729/4885CA4 4076/4885
US-20120322790-A1 Pyrazolopiperidine Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 CA1 2076/4885CA2 3581/4885CA4 3405/4885
US-20140057937-A1 ANTAGONISTS OF CHEMOKINE RECEPTORS CCR1, CCR3, CCR2 CA1 3181/4885CA2 3729/4885CA4 4076/4885

“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.