SCHEMBL19601644

SCHEMBL19601644

CC(C)Cc1cccc2c1CN(C1CC1)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
HTR2A P28223 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CXCR3 P49682 1/20 0.36
SMO Q99835 1/20 0.34

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
SCHEMBL19603147 0.84 DRD2 (0.39) CXCR3
SCHEMBL19603218 0.81 CXCR3 (0.38) CXCR3SMO
SCHEMBL19601651 0.78 GABRA1 (0.40) HTR2CHTR2BGABRA1GABRB2
SCHEMBL19601645 0.77 CARM1 (0.45) HTR2CHTR2BGABRA1GABRB2
SCHEMBL19601647 0.77 PNMT (0.49) GABRA1GABRB2
SCHEMBL19601658 0.74 NOTUM (0.54) GABRA1GABRB2
SCHEMBL19601650 0.74 ESR1 (0.42) HTR2CHTR2BGABRA1GABRB2
SCHEMBL25444509 0.71 MAOA (0.49) HTR2CHTR2BHTR2AGABRA1GABRB2
SCHEMBL14591486 0.71 KCNH2 (0.42)
SCHEMBL25443779 0.70 HTR2B (0.40) HTR2CHTR2BHTR2AGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781211-B2 Spirocycle compounds and methods of making and using same LUNDBECK LA JOLLA RESEARCH CENTER, INC. (US) 2020-09-22 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-10030020-B2 Spirocycle compounds and methods of making and using same ABIDE THERAPEUTICS, INC. (US) 2018-07-24 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 US disclosed
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME H. LUNDBECK A/S (DK) 2017-11-16 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 (3 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-10781211-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 OPRM1 368/4885OPRD1 207/4885OPRK1 173/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 OPRM1 368/4885OPRD1 207/4885OPRK1 173/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 OPRM1 368/4885OPRD1 207/4885OPRK1 173/4885

“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.