SCHEMBL19705380

SCHEMBL19705380

CC(C)c1cccc2c1SCCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
TAAR1 Q96RJ0 2/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRB2 P47870 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL20930972 0.82 GABRA1 (0.38) TAAR1GABRA1GABRG2GABRB3GABRB2
SCHEMBL16746090 0.78 MEN1 (0.36) MEN1ALDH1A1GAAKMT2AINMT
SCHEMBL24427304 0.73 MEN1 (0.48) MEN1ALDH1A1GAAKMT2ANISCH
SCHEMBL19359819 0.69 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRB2FAAH
SCHEMBL3419324 0.69 NOTUM (0.40) TAAR1GABRA1GABRG2GABRB3GABRB2
SCHEMBL16744209 0.69 MEN1 (0.44) MEN1ALDH1A1GAAKMT2AINMT
SCHEMBL69988 0.69 TAAR1 (0.40) ALDH1A1GAATAAR1GABRA1GABRG2
SCHEMBL71450 0.68 GABRA1 (0.38) TAAR1GABRA1GABRG2GABRB3GABRB2
SCHEMBL1549125 0.67 ALOX5 (0.42) MEN1ALDH1A1GAAKMT2ACA1
SCHEMBL4705985 0.67 CNR2 (0.45) MEN1ALDH1A1GAAKMT2AINMT

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-10023534-B2 Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170355673-A1 TRICYCLIC ATROPISOMER COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 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 (2 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-20170355673-A1 TRICYCLIC ATROPISOMER COMPOUNDS BTK, LCK, SYK MEN1 1960/4885ALDH1A1 4447/4885GAA 1607/4885
US-10023534-B2 Carbazole and tetrahydrocarbazole compounds useful as inhibitors of BTK BTK, JAK2, SYK MEN1 2482/4885ALDH1A1 4292/4885GAA 3343/4885

“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.