SCHEMBL21174065

SCHEMBL21174065

O=C(NCc1ccccc1Cl)c1nccc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ ROCK2 O75116 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ CNR1 P21554 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ TP53 P04637 1/20 0.40

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
SCHEMBL21174272 0.84 NPC1 (0.44) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL21174152 0.80 ALDH1A1 (0.36) MEN1KMT2A
SCHEMBL21174070 0.80 BTK (0.35) —
SCHEMBL21174072 0.80 USP30 (0.43) CYP1A2CYP3A4CYP2C19ROCK2KMT2A
SCHEMBL21174098 0.80 NPC1 (0.46) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL21174092 0.79 TRPV1 (0.36) —
SCHEMBL21181113 0.79 HCRTR1 (0.36) RAB9A
SCHEMBL21174395 0.78 POLB (0.42) CYP1A2CYP3A4CYP2C19RXFP1MEN1
SCHEMBL21174234 0.78 TP53 (0.45) NPC1RAB9ACYP1A2CYP3A4CYP2C19
SCHEMBL21174489 0.75 KDM5B (0.47) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 — — EP disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 — — EP disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 — — EP disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 — — 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-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND PRSS8, PRSS1, PRSS2 NPC1 1953/4885RAB9A 469/4885CYP1A2 3414/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 NPC1 1953/4885RAB9A 469/4885CYP1A2 3414/4885

“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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