SCHEMBL4421968

SCHEMBL4421968

CCCCC1(c2ccccc2)CNCCN1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.36
OPRD1 P41143 2/20 0.36
OPRL1 P41146 2/20 0.36
OPRK1 P41145 1/20 0.36
MEN1 O00255 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 2/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
CYP2D6 P10635 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL16151054 0.79 SIGMAR1 (0.44) OPRM1OPRD1MEN1KMT2A
SCHEMBL18284750 0.77 OPRM1 (0.39) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL2226221 0.76 OPRM1 (0.35) OPRM1OPRD1OPRL1OPRK1SLC6A2
SCHEMBL4759637 0.75 HTR2A (0.38) OPRM1OPRD1KMT2ASLC6A2SLC6A4
SCHEMBL27587006 0.74 SIGMAR1 (0.36) OPRM1OPRD1KMT2ASLC6A2SLC6A4
SCHEMBL6371581 0.73 MMP2 (0.38) OPRM1OPRD1OPRL1OPRK1MEN1
SCHEMBL4592731 0.73 SIGMAR1 (0.38) OPRM1OPRD1MEN1KMT2ASLC6A2
SCHEMBL14698728 0.72 SIGMAR1 (0.35) OPRM1OPRD1OPRL1OPRK1MEN1
SCHEMBL3941026 0.71 CHRNB2 (0.38)
SCHEMBL3721247 0.70 SIGMAR1 (0.39) OPRM1OPRD1KMT2ASLC6A4HTR2C

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure BAKTHAVATCHALAM RAJAGOPAL 2009-03-26 US disclosed
US-6723730-B2 DIARYL PIPERAZINES AND RELATED COMPOUNDS USEFUL IN THE TREATMENT OF A CHRONIC AND ACUTE PAIN CONDITIONS, ITCH AND URINARY INCONTINENCE. NEUROGEN CORPORATION 2004-04-20 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-20090082362-A1 Use of capsaicin receptor antagonists to treat symptoms of tear gas exposure TRPV1, TRPA1, TRPV5 OPRM1 100/4885OPRD1 120/4885OPRL1 12/4885

“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.