SCHEMBL7238013

SCHEMBL7238013

Fc1cccc(N2C3CCC2CNC3)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.66
HTR2A P28223 1/20 0.54
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
BPTF Q12830 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
ALOX5 P09917 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
KEAP1 Q14145 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
SCHEMBL29327284 0.79 HTR2C (0.50) OPRM1HTR2AHTR2CHTR2BBPTF
SCHEMBL6170136 0.79 OPRM1 (0.60) OPRM1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL7238311 0.78 OPRM1 (0.50) OPRM1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL19838619 0.77 OPRM1 (0.62) OPRM1HTR2AHTR2CHTR2BBPTF
SCHEMBL7239902 0.77 OPRM1 (0.62) OPRM1HTR2AHTR2CHTR2BBPTF
SCHEMBL24884306 0.76 OPRM1 (0.60) OPRM1HTR2AHTR2CHTR2BBPTF
SCHEMBL20012701 0.75 OPRM1 (0.44) OPRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18038663 0.73 OPRM1 (0.50) OPRM1
Hydrochloric Acid SCHEMBL19991666 0.73 OPRM1 (0.43) OPRM1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30606886 0.73 OPRM1 (0.50) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531468-B2 Inhibiting serotonin reuptake in the central nervous system of a mammal PFIZER INC 2003-03-11 US claimed
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER INC. 2002-06-06 US claimed
US-6531468-B2 Inhibiting serotonin reuptake in the central nervous system of a mammal PFIZER INC 2003-03-11 US disclosed
US-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof PFIZER INC. 2002-06-06 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-20020068748-A1 Diazabicyclooctane derivatives and therapeutic uses thereof CNR1, CBR1, CLIC1 OPRM1 143/4885HTR2A 2144/4885HTR2C 502/4885

“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.