SCHEMBL6414701

SCHEMBL6414701

COc1ccc(CN2CCC3(CCN(CC[C@H](N)c4cccc(F)c4)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 4/20 0.49
CCR3 P51677 1/20 0.43
OPRM1 P35372 3/20 0.42
OPRL1 P41146 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
DRD4 P21917 1/20 0.39
OPRK1 P41145 1/20 0.39
CACNA2D1 P54289 3/20 0.38
TACR1 P25103 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37

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
Hydrochloric Acid SCHEMBL6409282 0.99 GNRHR (0.48) GNRHRCCR3OPRM1OPRL1SIGMAR1
SCHEMBL6410552 0.90 TP53 (0.40) GNRHROPRM1SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL6410022 0.89 SIGMAR1 (0.41) GNRHROPRM1SIGMAR1DRD2HTR2A
Hydrochloric Acid SCHEMBL6409726 0.89 SIGMAR1 (0.41) GNRHROPRM1SIGMAR1DRD2HTR2A
SCHEMBL6408859 0.89 SIGMAR1 (0.47) CCR3SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6409136 0.88 SIGMAR1 (0.48) CCR3SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6414709 0.88 SIGMAR1 (0.48) CCR3SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6410306 0.88 SIGMAR1 (0.48) CCR3SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL5255706 0.88 SIGMAR1 (0.48) CCR3SIGMAR1DRD2HTR2AHTR2C
Hydrochloric Acid SCHEMBL6408991 0.87 SIGMAR1 (0.46) SIGMAR1DRD2HTR2AHTR2CHTR2B

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 GNRHR 241/4885CCR3 13/4885OPRM1 244/4885

“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.