SCHEMBL13617525

SCHEMBL13617525

CC(C)(C)c1ccc2c(c1)/C(=C/CCN1CCC(O)(c3ccc(Cl)cc3)C1)C1C=CC=NC1CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 2/20 0.44
▸ DRD2 P14416 10/20 0.33
▸ MAPT P10636 1/20 0.33
▸ DRD4 P21917 5/20 0.32
▸ DRD3 P35462 4/20 0.32
▸ ADRA2A P08913 4/20 0.32
▸ ADRA1A P35348 3/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ ADRA1B P35368 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ HRH1 P35367 2/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ OPRM1 P35372 5/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ADRB2 P07550 2/20 0.32

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
SCHEMBL12121896 0.91 CCR1 (0.44) CCR1
SCHEMBL10287605 0.87 DRD2 (0.41) CCR1DRD2DRD4DRD3ADRA1A
SCHEMBL13824497 0.85 CCR1 (0.48) CCR1TP53
SCHEMBL10288016 0.84 CCR1 (0.53) CCR1
SCHEMBL12121715 0.84 CCR1 (0.37) CCR1DRD2DRD4DRD3ADRA2A
SCHEMBL10288236 0.84 ALDH1A1 (0.41) CCR1DRD2DRD3HTR1AHRH1
SCHEMBL13617507 0.84 DRD2 (0.42) CCR1DRD2DRD4DRD3ADRA1A
SCHEMBL13824493 0.84 CCR1 (0.47) CCR1TP53
SCHEMBL13824223 0.83 DRD2 (0.38) CCR1DRD2DRD4DRD3ADRA2A
SCHEMBL12121894 0.83 CCR1 (0.45) CCR1DRD2DRD4DRD3ADRA1A

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 CCR1 10/4885DRD2 3566/4885MAPT 4720/4885

“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