SCHEMBL19831875

SCHEMBL19831875

CCC(=O)N1CCCc2[nH]nc(CC)c2C1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 6/20 0.53
BRD4 O60885 2/20 0.53
EP300 Q09472 5/20 0.46
PARP1 P09874 1/20 0.36
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
KDR P35968 2/20 0.35
KMT2A Q03164 1/20 0.35
RBP4 P02753 2/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 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
SCHEMBL22474043 0.92 CREBBP (0.62) CREBBPBRD4EP300MAPK1RBP4
SCHEMBL20053806 0.88 CREBBP (0.50) CREBBPBRD4EP300MAPK1KDR
SCHEMBL20952900 0.87 CREBBP (0.41) CREBBPBRD4EP300KDRRBP4
SCHEMBL17518082 0.85 CREBBP (0.54) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL16123826 0.84 CREBBP (0.46) CREBBPBRD4EP300RBP4
SCHEMBL17234776 0.84 RIPK1 (0.43) CREBBPBRD4EP300PARP1MAPK1
SCHEMBL21334029 0.84 CREBBP (0.40) CREBBPBRD4EP300MAPK1RBP4
SCHEMBL17229760 0.83 CREBBP (0.52) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL19413392 0.80 CREBBP (0.49) CREBBPBRD4EP300MAPK1HCAR2
SCHEMBL19413418 0.79 CREBBP (0.48) CREBBPBRD4EP300MAPK1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2018-02-01 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-20180030060-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 CREBBP 1412/4885BRD4 57/4885EP300 192/4885

“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.