SCHEMBL6412380

SCHEMBL6412380

O=C1NCCC12CCN(CCC(c1ccccc1)c1ccccc1)CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.53
OPRM1 P35372 6/20 0.48
KCNA3 P22001 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP2D6 P10635 2/20 0.44
OPRD1 P41143 2/20 0.44
OPRK1 P41145 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
MLNR O43193 1/20 0.44
NR1I2 O75469 1/20 0.44
GMNN O75496 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP3A4 P08684 1/20 0.44
ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL3647086 0.77 LTA4H (0.61) OPRL1OPRM1ALDH1A1CYP2D6OPRD1
SCHEMBL13964192 0.74 OPRL1 (0.74) OPRL1OPRM1CYP2D6OPRD1OPRK1
SCHEMBL10263099 0.73 OTUD7B (0.45) MTORLTA4H
SCHEMBL6408789 0.73 CCR3 (0.55) OPRL1OPRM1KCNA3CYP2D6LMNA
SCHEMBL6836359 0.73 SIGMAR1 (0.70) OPRL1DRD2HTR2AHTR2CADRA1A
SCHEMBL5863917 0.73 SIGMAR1 (0.61) OPRL1OPRM1KCNA3ALDH1A1CYP2D6
SCHEMBL6409592 0.72 OPRL1 (0.56) OPRL1OPRM1KCNA3ALDH1A1CYP2D6
Hydrochloric Acid SCHEMBL6412282 0.72 CCR3 (0.54) OPRL1OPRM1KCNA3CYP2D6LMNA
SCHEMBL6408850 0.72 CCR2 (0.60) OPRL1OPRM1KCNA3ALDH1A1CYP2D6
SCHEMBL6703717 0.71 KCNA3 (0.58) OPRL1OPRM1KCNA3ALDH1A1CYP2D6

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 244/4885KCNA3 2165/4885

“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.