SCHEMBL16312650

SCHEMBL16312650

C=C/C=C1\CCOc2ccc(C(C)(C)O)cc2\C1=C\CCN

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.33
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 1/20 0.30

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
SCHEMBL13824503 0.73 CCR1 (0.35) CCR1
SCHEMBL14579805 0.70 CCR1 (0.59) CCR1
SCHEMBL14420192 0.69 CCR1 (0.32) CCR1
SCHEMBL14420021 0.67 CCR1 (0.43) CCR1
SCHEMBL18633703 0.67 CCR1 (0.32) CCR1
SCHEMBL18895974 0.61 CCR1 (0.38) CCR1HTR2AHTR2CHTR2B
SCHEMBL4566440 0.60 MEN1 (0.41) —
SCHEMBL436922 0.60 CCR1 (0.59) CCR1
SCHEMBL6859760 0.59 CCR1 (0.34) CCR1
SCHEMBL6340702 0.58 MAPT (0.43) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 — — US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 — — US 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-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885HTR2A 2340/4885HTR2C 3111/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885HTR2A 2340/4885HTR2C 3111/4885

“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.

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