Sugi Predict

Sugi Predict / Compounds / SCHEMBL14419953

SCHEMBL14419953

SCHEMBL14419953

Oc1ccc2c(c1)C(=CCCN1CCC(c3ccc(Cl)cc3)CC1)c1cccnc1CO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.56
▸ CHRM2 P08172 1/20 0.56
▸ CCR5 P51681 1/20 0.56
▸ DRD2 P14416 5/20 0.38
▸ HRH1 P35367 5/20 0.35
▸ DRD3 P35462 3/20 0.35
▸ ADRA1A P35348 2/20 0.35
▸ HTR1A P08908 2/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ ADRA2B P18089 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ HTR2C P28335 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
SCHEMBL13620898 0.89 CCR1 (0.71) CCR1CHRM2CCR5HRH1
SCHEMBL14419986 0.89 CCR1 (0.55) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL7212913 0.88 CCR1 (0.54) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL7212910 0.88 CCR1 (0.54) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL16312680 0.88 CCR1 (0.52) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL13620900 0.87 CCR1 (0.52) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10288231 0.87 CCR1 (0.52) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10287523 0.87 CCR1 (0.55) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL10288233 0.87 CCR1 (0.53) CCR1CHRM2CCR5DRD2HRH1
SCHEMBL14419987 0.87 CCR1 (0.53) CCR1CHRM2CCR5DRD2HRH1

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-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 — — US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 — — 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-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS CCR1 19/4885CHRM2 615/4885CCR5 55/4885

“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.