SCHEMBL19601645

SCHEMBL19601645

CC(C)Cc1cccc2c1CN(CC(C)C)CC2

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 3/20 0.45
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
THRB P10828 1/20 0.38
CYP2C19 P33261 1/20 0.38
CD44 P16070 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PRMT6 Q96LA8 1/20 0.37
PRMT1 Q99873 1/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL19603143 0.88 CARM1 (0.45) CARM1CD44HRH3PRMT5WDR77
SCHEMBL19601647 0.88 PNMT (0.49) CARM1GABRA1GABRB2CD44HRH3
SCHEMBL19601651 0.81 GABRA1 (0.40) GABRA1GABRB2CYP2D6HRH3HTR2C
SCHEMBL21021802 0.79 MEN1 (0.44) CARM1PRMT5WDR77MAPT
SCHEMBL19601644 0.77 OPRM1 (0.38) GABRA1GABRB2HTR2CHTR2B
SCHEMBL19601650 0.76 ESR1 (0.42) GABRA1GABRB2HRH3HTR2CHTR2B
SCHEMBL19601658 0.76 NOTUM (0.54) GABRA1GABRB2HRH3PRMT5WDR77
SCHEMBL3418321 0.76 CARM1 (0.60) CARM1HRH3PRMT5WDR77
SCHEMBL21020889 0.73 MEN1 (0.39) CARM1PRMT5WDR77MAPT
SCHEMBL25444509 0.73 MAOA (0.49) GABRA1GABRB2CYP3A4CYP2D6CYP2C19

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 CARM1 4232/4885GABRA1 4077/4885GABRB2 4341/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 CARM1 4232/4885GABRA1 4077/4885GABRB2 4341/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 CARM1 4232/4885GABRA1 4077/4885GABRB2 4341/4885

“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.