SCHEMBL20695092

SCHEMBL20695092

O=C1CCC2(CN(C(=O)c3ccc(-c4ccccc4)s3)C2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ ERCC5 P28715 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ OPRL1 P41146 1/20 0.38
▸ HPGDS O60760 2/20 0.37
▸ HSD17B1 P14061 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
SCHEMBL20695128 0.80 HDAC6 (0.41) MEN1KMT2AALDH1A1HPGDHDAC6
SCHEMBL20695382 0.80 HTR2C (0.38) RAB9AMEN1KMT2ANPC1KDM4E
SCHEMBL20695443 0.79 HTR3E (0.38) MEN1KMT2AALDH1A1HPGDHTR3E
SCHEMBL20695210 0.79 MAPK1 (0.50) MEN1POLBKMT2AALDH1A1HPGD
SCHEMBL20695340 0.78 BRD4 (0.50) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL20695172 0.76 HRH4 (0.52) POLBHDAC1ALDH1A1HDAC6CHRNA7
SCHEMBL20695223 0.74 ALDH1A1 (0.59) POLBALDH1A1CHRNA7
SCHEMBL20695419 0.74 HTR2C (0.40) RAB9ANPC1ALDH1A1HPGDNPSR1
SCHEMBL20695447 0.74 MGLL (0.39) MEN1KMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL20695174 0.73 CHRNA1 (0.40) HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10610520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-07 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
US-20190125728-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-05-02 — — US disclosed
EP-3438109-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-02-06 — — 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 (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-20190125728-A1 HETEROCYCLIC COMPOUND MAG, HTT, ACHE RAB9A 489/4885MEN1 183/4885POLB 2080/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE RAB9A 489/4885MEN1 183/4885POLB 2080/4885

“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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