SCHEMBL16268697

SCHEMBL16268697

CCN1Cc2cccc(N)c2CC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.36
HTT P42858 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
LMNA P02545 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALOX15 P16050 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
CD44 P16070 2/20 0.33

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
SCHEMBL16268392 0.88 HTR1A (0.37) PARP1HTTPARP2LMNAHDAC1
SCHEMBL16269218 0.84 HSD17B3 (0.38) PARP1HTTPARP2LMNATSHR
SCHEMBL8966163 0.76 ACHE (0.46) TSHRKDM4EALOX15SIRT1HTR1A
SCHEMBL12714306 0.74 PARP1 (0.50) PARP1HTTPARP2LMNAALOX15
SCHEMBL1949749 0.74 BRD4 (0.44) PARP1HTTKDM4E
SCHEMBL19177440 0.73 ALOX15 (0.39) PARP1HTTPARP2LMNAHDAC1
SCHEMBL16269647 0.72 KDM4E (0.36) PARP1HTTPARP2LMNATSHR
SCHEMBL3604262 0.69 ACE (0.44) PARP1HTTLMNATSHRKDM4E
SCHEMBL6369712 0.68 HRH3 (0.54) KDM4EALOX15CD44AKR1C3
SCHEMBL16269233 0.68 ACHE (0.38) HTTLMNATSHRKDM4E

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-9920010-B2 CXCR7 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2018-03-20 US disclosed
EP-3004082-B1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2017-08-02 EP disclosed
US-20160107997-A1 CXCR7 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2016-04-21 US disclosed
EP-3004082-A1 CXCR7 RECEPTOR MODULATORS Actelion Pharmaceuticals Ltd. (CH) 2016-04-13 EP disclosed
WO-2014191929-A1 CXCR7 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2014-12-04 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-20160107997-A1 CXCR7 RECEPTOR MODULATORS CXCR1, CXCR5, CXCR2 PARP1 3414/4885HTT 3293/4885PARP2 3941/4885

“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.