SCHEMBL18876444

SCHEMBL18876444

CC(C)N1CCN(c2c(F)cc(OCCCN3CCCCC3)cc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 15/20 0.56
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL18876452 0.94 HRH3 (0.48) HRH3KDM4E
SCHEMBL18876479 0.93 HRH3 (0.46) HRH3KDM4E
SCHEMBL18879725 0.87 HRH3 (0.57) HRH3KDM4EL3MBTL1KCNH2
SCHEMBL18876442 0.84 MEN1 (0.42) HRH3MEN1KMT2AKDM4EMAOA
SCHEMBL18876438 0.83 MEN1 (0.48) HRH3MEN1KMT2AKDM4EKCNH2
SCHEMBL18876441 0.82 HRH3 (0.34) HRH3KDM4EL3MBTL1MAOAMAOB
SCHEMBL18876482 0.81 KDM1A (0.39) HRH3MEN1KMT2AKDM4EKCNH2
SCHEMBL18876503 0.81 KDM4E (0.36) HRH3KDM4EL3MBTL1MAOAMAOB
SCHEMBL18879739 0.81 CCR4 (0.52) HRH3KDM4E
SCHEMBL18876471 0.81 ACACB (0.38) HRH3KDM4EL3MBTL1MAOAMAOB

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-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 — — US disclosed
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
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 3759/4885MEN1 3546/4885KMT2A 2091/4885

“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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