SCHEMBL18412807

SCHEMBL18412807

CC(=O)c1cnn(C)c1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 6/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ PDE10A Q9Y233 3/20 0.40
▸ ATM Q13315 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL16908724 0.88 POLB (0.50) ALDH1A1KMT2AMEN1POLBL3MBTL1
SCHEMBL18394950 0.84 ALDH1A1 (0.45) PRKDCALDH1A1KMT2AMEN1MAPT
SCHEMBL1406957 0.76 HTT (0.57) ALDH1A1
SCHEMBL18412809 0.75 KMT2A (0.48) PRKDCALDH1A1KMT2AMEN1POLB
SCHEMBL1407088 0.75 POLB (0.53) ALDH1A1POLB
SCHEMBL27886662 0.72 ALDH1A1 (0.40) ALDH1A1KMT2APOLBL3MBTL1PDE10A
SCHEMBL18412907 0.71 PRKDC (0.43) PRKDCALDH1A1MAPTATM
SCHEMBL3289895 0.71 SMN1; SMN2 (0.41) ALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL25723047 0.71 KMT2A (0.47) PRKDCALDH1A1KMT2AMEN1POLB
SCHEMBL27737544 0.71 NSD2 (0.42) ALDH1A1KMT2AL3MBTL1

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-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 — — US disclosed
US-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-01-26 — — 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-20170022221-A1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS GABRA5, GABRA1, GABBR2 PRKDC 4871/4885ALDH1A1 621/4885KMT2A 1493/4885

“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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