SCHEMBL10287525

SCHEMBL10287525

Oc1ccc2c(c1)/C(=C/CCN1CCN(Cc3cccc(Cl)c3)CC1)c1cccnc1CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.49
▸ CHRM2 P08172 1/20 0.47
▸ CCR5 P51681 1/20 0.47
▸ HRH1 P35367 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HTR1A P08908 2/20 0.39
▸ HTR2A P28223 2/20 0.39
▸ ADRA1A P35348 2/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA2B P18089 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39

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
SCHEMBL10287523 0.92 CCR1 (0.55) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL10287522 0.82 CCR1 (0.55) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL14419953 0.82 CCR1 (0.56) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL7206932 0.81 CCR1 (0.64) CCR1CHRM2CCR5DRD2KDM4E
SCHEMBL7206934 0.81 CCR1 (0.64) CCR1CHRM2CCR5DRD2KDM4E
SCHEMBL10287521 0.80 CCR1 (0.51) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL18896070 0.80 CCR1 (0.56) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL14420118 0.80 CCR1 (0.53) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL14579626 0.80 CCR1 (0.53) CCR1CHRM2CCR5HRH1LMNA
SCHEMBL13617505 0.79 CCR1 (0.57) CCR1CHRM2CCR5HRH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — 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 (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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885

“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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