SCHEMBL19699779

SCHEMBL19699779

O=C(O)c1cc2ccccc2nc1N1CC2(COC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.43
▸ HTR6 P50406 2/20 0.43
▸ MGLL Q99685 1/20 0.42
▸ PDE10A Q9Y233 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.40
▸ PIN1 Q13526 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PPARD Q03181 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ IKBKB O14920 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPC1 O15118 1/20 0.37

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
SCHEMBL4220258 0.80 PKM (0.60) PDE10APKMSCN10ASMN1; SMN2PPARD
SCHEMBL19699783 0.79 CSNK2A2 (0.37) MAOBHTR6MGLLPDE10APKM
SCHEMBL19699774 0.76 CHRM4 (0.42) SCN10AKDM4EGAA
SCHEMBL6551348 0.75 KDM4E (0.52) HTR6PPARDPPARAKDM4EALDH1A1
SCHEMBL19699772 0.73 KMT2A (0.53) PDE10ATSHRSMN1; SMN2HDAC4KDM4E
SCHEMBL10924538 0.73 LMNA (0.47) TSHRKDM4EALDH1A1L3MBTL1RAB9A
SCHEMBL9700449 0.72 HRH4 (0.56) SCN10ATSHRSMN1; SMN2KDM4EALDH1A1
SCHEMBL19699781 0.72 ROCK2 (0.35) PDE10APKM
SCHEMBL26617769 0.72 ALDH1A1 (0.46) MAOBPDE10ASCN10ATSHRSMN1; SMN2
SCHEMBL9245601 0.69 NPC1 (0.43) PDE10APKMTSHRSMN1; SMN2KDM4E

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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES PULMOCIDE LIMITED (GB) 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 (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-20170355717-A1 NOVEL 5,6-DIHYDRO-4H-BENZO[B]THIENO-[2,3-D]AZEPINE DERIVATIVES ZC3HAV1, DHX15, AZI2 MAOB 1002/4885HTR6 92/4885MGLL 4806/4885

“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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