SCHEMBL18876525

SCHEMBL18876525

CC(C)N1CCN(c2c(F)cc(OCCN3CCC(C)(O)CC3)cc2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 4/20 0.36
▸ MAOB P27338 4/20 0.36
▸ HRH3 Q9Y5N1 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GRIN2D O15399 1/20 0.34
▸ GRIN3B O60391 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2A Q12879 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ GRIN2C Q14957 1/20 0.34
▸ GRIN3A Q8TCU5 1/20 0.34
▸ DRD2 P14416 5/20 0.34
▸ HRH2 P25021 1/20 0.34
▸ HRH1 P35367 1/20 0.34
▸ PSMB1 P20618 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ SLC2A1 P11166 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL18879742 0.89 CCR4 (0.40) HRH3KDM4EGRIN2DGRIN3BMAPT
SCHEMBL18876479 0.86 HRH3 (0.46) HRH3KDM4EPSMB1PSMB5LTA4H
SCHEMBL18876452 0.85 HRH3 (0.48) HRH3KDM4EPSMB1PSMB5LTA4H
SCHEMBL18876442 0.85 MEN1 (0.42) MAOAMAOBHRH3KDM4ESLC2A1
SCHEMBL18876438 0.84 MEN1 (0.48) HRH3KDM4EMEN1KMT2ALTA4H
Hydrochloric Acid SCHEMBL17422228 0.83 ALDH1A1 (0.38) HRH3KDM4EGRIN2DGRIN3BMAPT
SCHEMBL18876511 0.83 HRH3 (0.41) MAOBHRH3KDM4EHRH2HRH1
SCHEMBL18876482 0.82 KDM1A (0.39) MAOAMAOBHRH3KDM4EHRH2
SCHEMBL18876503 0.80 KDM4E (0.36) MAOAMAOBHRH3KDM4EMAPT
SCHEMBL18876444 0.79 HRH3 (0.56) MAOAMAOBHRH3KDM4EMEN1

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 MAOA 1402/4885MAOB 1573/4885HRH3 3759/4885

“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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