SCHEMBL18876441

SCHEMBL18876441

CC(C)N1CCN(c2c(F)cc(OCCN)cc2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ MAOA P21397 4/20 0.33
▸ MAOB P27338 4/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ SOS1 Q07889 1/20 0.31
▸ HRH4 Q9H3N8 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ ACACB O00763 1/20 0.30

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
SCHEMBL18876471 0.87 ACACB (0.38) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL18876503 0.87 KDM4E (0.36) HRH3KDM4EALDH1A1MAPTPKM
SCHEMBL18876492 0.85 MAPT (0.41) HRH3MAPT
SCHEMBL18876479 0.84 HRH3 (0.46) HRH3KDM4EALDH1A1
SCHEMBL18879764 0.84 MAPT (0.41) HRH3KDM4EALDH1A1MAPTTAAR1
SCHEMBL18876452 0.83 HRH3 (0.48) HRH3KDM4EALDH1A1
SCHEMBL18876442 0.83 MEN1 (0.42) HRH3KDM4EALDH1A1MAOAMAOB
SCHEMBL18876482 0.82 KDM1A (0.39) HRH3KDM4EMAOAMAOBHRH1
SCHEMBL18876518 0.82 HRH3 (0.33) HRH3KDM4EALDH1A1L3MBTL1ACACB
SCHEMBL18876455 0.82 HRH3 (0.33) HRH3KDM4EALDH1A1L3MBTL1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 — — 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 HRH3 3759/4885KDM4E 1255/4885ALDH1A1 2244/4885

“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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