SCHEMBL19003527

SCHEMBL19003527

CCCC(CC)c1ccccc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 4/20 0.39
HPGD P15428 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 3/20 0.32
CYP19A1 P11511 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 1/20 0.32
MAPK1 P28482 1/20 0.31
CASR P41180 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
SCHEMBL11907373 0.89 TSHR (0.50) L3MBTL1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL30595388 0.88 L3MBTL1 (0.44) L3MBTL1ALDH1A1TSHRHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL29882504 0.87 L3MBTL1 (0.43) L3MBTL1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL19003538 0.85 L3MBTL1 (0.41) L3MBTL1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL19779463 0.83 L3MBTL1 (0.37) L3MBTL1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL3866389 0.82 TSHR (0.32) L3MBTL1TSHRSMN1; SMN2
SCHEMBL10490933 0.80 TSHR (0.41) L3MBTL1ALDH1A1TSHRHPGDSMN1; SMN2
SCHEMBL28020674 0.79 L3MBTL1 (0.40) L3MBTL1ALDH1A1TSHRSMN1; SMN2GAA
SCHEMBL26462841 0.78 CYP2A6 (0.35) L3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL21725493 0.77 NOS2 (0.42) CYP2D6TDP1KDM4E

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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2023-05-04 US disclosed
EP-2938344-B1 PIPERAZINE-SUBSTITUTED [1,2,4]TRIAZOLO[1,5-C]QUINAZOLIN-5-AMINE COMPOUNDS WITH A2A ANTAGONIST PROPERTIES MERCK SHARP & DOHME (US) 2017-06-21 EP 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-20230135560-A1 GEM-DISUBSTITUTED PIPERIDINE MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC1R, MC3R, MC2R L3MBTL1 4621/4885ALDH1A1 2971/4885TSHR 238/4885

“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.