SCHEMBL13617254

SCHEMBL13617254

COc1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)c(Cl)c3)CC1)C1C=CC=NC1CO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.36
▸ DRD3 P35462 3/20 0.36
▸ DRD4 P21917 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ DRD1 P21728 1/20 0.36
▸ DRD5 P21918 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ HTR5A P47898 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL10288236 0.93 ALDH1A1 (0.41) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL10287957 0.91 SIGMAR1 (0.37) DRD2DRD3DRD4SIGMAR1LMNA
SCHEMBL10287529 0.91 SLC6A1 (0.36) DRD2DRD3DRD4SIGMAR1LMNA
SCHEMBL13824429 0.90 ALDH1A1 (0.39) DRD2DRD3HTR1ADRD1DRD5
SCHEMBL12121526 0.90 SIGMAR1 (0.34) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL12121683 0.90 SIGMAR1 (0.38) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL12121525 0.89 SIGMAR1 (0.35) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL10287526 0.88 CCR1 (0.35) DRD2DRD3DRD4SIGMAR1LMNA
SCHEMBL10287611 0.85 TET3 (0.35) DRD2DRD3HTR2CLMNAALDH1A1
SCHEMBL13617080 0.85 DRD2 (0.36) DRD2DRD3DRD4HTR1ADRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 — — 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 DRD2 3566/4885DRD3 3990/4885DRD4 4364/4885

“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.

Send feedback