SCHEMBL6409592

SCHEMBL6409592

c1ccc(C(CCN2CCC3(CCNC3)CC2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.56
OPRM1 P35372 3/20 0.50
USP2 O75604 5/20 0.49
CYP2C9 P11712 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP2C19 P33261 2/20 0.49
TSHR P16473 2/20 0.49
KCNA3 P22001 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
HIF1A Q16665 1/20 0.49
CYP2D6 P10635 6/20 0.46
CYP3A4 P08684 4/20 0.46
OPRD1 P41143 1/20 0.44
CYP1A2 P05177 2/20 0.43
CCR2 P41597 2/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL5863917 0.78 SIGMAR1 (0.61) OPRL1OPRM1ALDH1A1KCNA3MEN1
SCHEMBL4130505 0.76 TSHR (0.82) OPRL1USP2CYP2C9ALDH1A1CYP2C19
SCHEMBL22477399 0.75 TSHR (0.51) USP2CYP2C9ALDH1A1CYP2C19TSHR
SCHEMBL6769513 0.73 ALDH1A1 (0.56) OPRL1OPRM1ALDH1A1KCNA3MEN1
SCHEMBL6412380 0.72 OPRL1 (0.53) OPRL1OPRM1USP2CYP2C9ALDH1A1
SCHEMBL14027003 0.71 TSHR (0.73) USP2CYP2C9ALDH1A1CYP2C19TSHR
Prozapine SCHEMBL25765 0.71 ALDH1A1 (0.66) OPRL1ALDH1A1KCNA3CYP2D6CCR2
Fenpiprane SCHEMBL24507 0.71 ALDH1A1 (0.66) OPRL1ALDH1A1KCNA3CYP2D6CCR2
SCHEMBL1426593 0.71 CYP2D6 (0.84) USP2CYP2C9ALDH1A1CYP2C19TSHR
SCHEMBL23135107 0.70 TSHR (0.61) USP2CYP2C9ALDH1A1CYP2C19TSHR

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 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 OPRL1 151/4885OPRM1 244/4885USP2 4697/4885

“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.