SCHEMBL6409581

SCHEMBL6409581

N[C@@H](CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.48
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
OPRK1 P41145 1/20 0.45
OPRL1 P41146 1/20 0.45
CLPP Q16740 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CCR3 P51677 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HCRTR1 O43613 1/20 0.40
GNRHR P30968 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6417635 1.00 HCRTR2 (0.48) HCRTR2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6408290 0.99 HCRTR2 (0.48) HCRTR2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL5252414 0.99 HCRTR2 (0.48) HCRTR2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6409388 0.99 HCRTR2 (0.48) HCRTR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6410623 0.91 HCRTR2 (0.51) HCRTR2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6412444 0.91 HCRTR2 (0.44) HCRTR2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL6414690 0.90 HCRTR2 (0.50) HCRTR2OPRM1OPRD1OPRK1OPRL1
SCHEMBL6409014 0.90 CCR3 (0.46) HCRTR2OPRM1OPRL1CCR3ALDH1A1
Hydrochloric Acid SCHEMBL5304374 0.88 CCR3 (0.45) HCRTR2OPRM1OPRL1CCR3ALDH1A1
Hydrochloric Acid SCHEMBL6409157 0.88 HCRTR2 (0.42) HCRTR2CLPPALDH1A1MEN1MAPT

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 HCRTR2 247/4885OPRM1 244/4885OPRD1 177/4885

“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.