SCHEMBL19601657

SCHEMBL19601657

CC(C)Cc1ccc2c(c1)N(C)CCC2

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 8/20 0.44
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
ACHE P22303 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
KLKB1 P03952 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
SCHEMBL23349378 0.90 RORC (0.39) RORCGABRA1GABRB2
SCHEMBL763146 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL26455057 0.81 DRD1 (0.45) RORCGABRA1GABRB2
SCHEMBL553710 0.81 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL24937850 0.78 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL29754319 0.77 RORC (0.56) RORC
SCHEMBL11873069 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL13252969 0.76 ALDH1A1 (0.44) RORCALDH1A1MEN1KMT2AGAA
SCHEMBL23518586 0.76 RORC (0.56) RORCALDH1A1MAPT
SCHEMBL19465749 0.74 RORC (0.51) RORCALDH1A1GAAMAPT

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 RORC 2938/4885ALDH1A1 932/4885MEN1 3674/4885
US-20170327500-A1 SPIROCYCLE COMPOUNDS AND METHODS OF MAKING AND USING SAME ABHD6, ABHD16A, ACSL6 RORC 2938/4885ALDH1A1 932/4885MEN1 3674/4885
US-10030020-B2 Spirocycle compounds and methods of making and using same ABHD6, ABHD16A, ACSL6 RORC 2938/4885ALDH1A1 932/4885MEN1 3674/4885

“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.