SCHEMBL18876438

SCHEMBL18876438

CC(C)N1CCN(c2c(F)cc(OCCN3CCOCC3)cc2F)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ NPC1 O15118 2/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ CCR4 P51679 1/20 0.44
▸ RAB9A P51151 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ SCN1A P35498 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ GAA P10253 1/20 0.42

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
SCHEMBL18876479 0.90 HRH3 (0.46) ALDH1A1KDM4ECCR4HRH3SMN1; SMN2
SCHEMBL18876442 0.89 MEN1 (0.42) MEN1KMT2AALDH1A1KDM4ECCR4
SCHEMBL18876452 0.89 HRH3 (0.48) ALDH1A1KDM4ECCR4HRH3SMN1; SMN2
SCHEMBL18879719 0.87 CCR4 (0.55) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL18876482 0.86 KDM1A (0.39) MEN1KMT2AKDM4EKCNH2SIGMAR1
SCHEMBL18876511 0.85 HRH3 (0.41) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL18876525 0.84 MAOA (0.36) MEN1KMT2AKDM4EHRH3LTA4H
SCHEMBL21122495 0.83 NPC1 (0.45) MEN1KMT2ANPC1ALDH1A1KDM4E
SCHEMBL18876444 0.83 HRH3 (0.56) MEN1KMT2AKDM4EKCNH2HRH3
SCHEMBL18876441 0.82 HRH3 (0.34) ALDH1A1KDM4EHTR2AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386988-B1 NOVEL DIHYDROPYRANOPYRIMIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2021-09-15 — — EP disclosed
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-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 — — 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 (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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 MEN1 3546/4885KMT2A 2091/4885NPC1 2630/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 MEN1 3771/4885KMT2A 2059/4885NPC1 2945/4885

“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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