SCHEMBL13640842

SCHEMBL13640842

C[C@H](C1CCCC1)N1CCC2(CC1)COc1ccc(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
AKR1B1 P15121 4/20 0.35
IDO1 P14902 2/20 0.34
TDO2 P48775 2/20 0.34
AKR1B10 O60218 1/20 0.32
MAPT P10636 1/20 0.32
AKR1A1 P14550 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRL1 P41146 2/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31

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
SCHEMBL13640965 1.00 CHRNA7 (0.41) CHRNA7AKR1B1IDO1TDO2AKR1B10
SCHEMBL13640759 0.86 IDO1 (0.40) IDO1TDO2S1PR1S1PR3S1PR5
SCHEMBL12086314 0.83 IDO1 (0.37) CHRNA7AKR1B1IDO1TDO2OPRM1
SCHEMBL13640882 0.83 CHRNA7 (0.41) CHRNA7AKR1B1HTR2AHTR2COPRM1
SCHEMBL12084199 0.78 OPRM1 (0.41) CHRNA7AKR1B1HTR2ASLC6A4OPRM1
SCHEMBL8062832 0.77 AKR1B1 (0.48) AKR1B1AKR1B10MAPTAKR1A1HTR2A
SCHEMBL13641059 0.77 OPRM1 (0.43) HTR2AHTR2CSLC6A4OPRM1OPRK1
SCHEMBL13640839 0.76 MAP3K14 (0.38) IDO1TDO2MAPT
SCHEMBL30974103 0.75 AKR1B1 (0.45) CHRNA7AKR1B1AKR1B10MAPTAKR1A1
SCHEMBL13640995 0.75 CHRNA7 (0.41) CHRNA7AKR1B1OPRM1OPRK1OPRL1

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-8497295-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-30 US disclosed
US-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-08 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-20120283243-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM5 CHRNA7 23/4885AKR1B1 500/4885IDO1 1589/4885

“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.