SCHEMBL12789488

SCHEMBL12789488

CC[C@H](c1ccccc1)n1c(C)nc2ccc(N(C)C3CCC3)cc2c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MITF O75030 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ABCC1 P33527 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ APLNR P35414 4/20 0.36
▸ GAA P10253 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ KMT2A Q03164 1/20 0.34
▸ PARP14 Q460N5 1/20 0.34
▸ NTSR1 P30989 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33

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
SCHEMBL12789047 0.90 ALDH1A1 (0.35) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12788919 0.88 ALDH1A1 (0.40) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12788914 0.87 ALDH1A1 (0.41) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12788871 0.86 ALDH1A1 (0.43) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12789713 0.84 KMT2A (0.40) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12788980 0.84 GAA (0.36) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12789783 0.83 ALDH1A1 (0.39) MITFALDH1A1PKMSMN1; SMN2ABCC1
SCHEMBL12789456 0.81 POLB (0.40) APLNRGAAKMT2A
SCHEMBL12789454 0.81 POLB (0.40) APLNRGAAKMT2A
SCHEMBL12789455 0.81 POLB (0.40) APLNRGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — 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 (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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 MITF 1896/4885ALDH1A1 833/4885PKM 2180/4885

“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.

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