SCHEMBL20695398

SCHEMBL20695398

Cc1c(C(=O)N2CC3(CCC(=O)N3)C2)oc2ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.50
▸ NPC1 O15118 4/20 0.45
▸ MAPT P10636 1/20 0.44
▸ CASP6 P55212 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ RAB9A P51151 5/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL20695371 0.92 NPC1 (0.42) MCL1NPC1MAPTCASP6KCNH2
SCHEMBL20708931 0.89 NPC1 (0.58) NPC1MAPTCASP6KCNH2RAB9A
SCHEMBL20695270 0.86 MCL1 (0.41) MCL1NPC1MAPTCASP6RAB9A
SCHEMBL20695445 0.85 SLC26A4 (0.50) MCL1MAPTALDH1A1KMT2AKDM4E
SCHEMBL20695310 0.85 ALDH1A1 (0.57) NPC1MAPTRAB9AALDH1A1KMT2A
SCHEMBL20695422 0.77 MCL1 (0.48) MCL1NPC1RAB9AALDH1A1KMT2A
SCHEMBL20708930 0.74 MCL1 (0.51) MCL1NPC1MAPTCASP6KCNH2
SCHEMBL20708700 0.73 MAPT (0.33) MCL1MAPT
SCHEMBL20695121 0.72 CYP2C19 (0.42) NPC1RAB9AALDH1A1KMT2AHPGD
SCHEMBL20695153 0.70 SLC6A7 (0.42) MAPTALDH1A1HPGDSMN1; SMN2

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 MCL1 150/4885NPC1 791/4885MAPT 7/4885
US-10610520-B2 Heterocyclic compound MAG, HTT, ACHE MCL1 150/4885NPC1 791/4885MAPT 7/4885

“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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