SCHEMBL18879715

SCHEMBL18879715

CC(C)Oc1cc(F)c(N2CCN(C)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.40
▸ DRD2 P14416 7/20 0.38
▸ HTR2A P28223 7/20 0.38
▸ HTR6 P50406 7/20 0.38
▸ HTR7 P34969 6/20 0.38
▸ HTR1A P08908 6/20 0.38
▸ LRRK2 Q5S007 4/20 0.38
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL18876494 0.85 LRRK2 (0.37) MAPTLRRK2KDM4EALDH1A1FFAR4
SCHEMBL18876365 0.85 MAPT (0.39) MAPTLRRK2KDM4EALDH1A1FFAR4
SCHEMBL17432215 0.82 ALDH1A1 (0.46) MAPTLRRK2ALDH1A1
SCHEMBL14922715 0.81 CCR4 (0.46) MAPTDRD2KDM4EL3MBTL1MEN1
Hydrochloric Acid SCHEMBL17422193 0.81 ALDH1A1 (0.49) MAPTLRRK2KDM4EALDH1A1
SCHEMBL25493021 0.78 FFAR4 (0.51) MAPTDRD2HTR2AHTR6HTR7
SCHEMBL14924079 0.77 MAPT (0.42) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL25493024 0.77 HTR3A (0.47) MAPTLRRK2KDM4EALDH1A1TDP1
SCHEMBL17432259 0.77 MEN1 (0.36) MAPTDRD2HTR2AHTR6HTR7
SCHEMBL17432266 0.77 MAPT (0.40) MAPTDRD2HTR2AHTR6HTR7

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 MAPT 44/4885DRD2 4637/4885HTR2A 4130/4885

“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.

Send feedback