SCHEMBL19829386

SCHEMBL19829386

C=C(C)N1CCc2c(C(C)C)n[nH]c2C1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.34
RBP4 P02753 5/20 0.34
CYP2C19 P33261 1/20 0.34
CREBBP Q92793 11/20 0.34
EP300 Q09472 10/20 0.34
BRD4 O60885 2/20 0.34
P2RX7 Q99572 2/20 0.32

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
SCHEMBL17229622 0.85 MAPK1 (0.48) MAPK1RBP4CREBBPEP300BRD4
SCHEMBL28662073 0.82 CREBBP (0.39) MAPK1RBP4CYP2C19CREBBPEP300
SCHEMBL17229709 0.81 RBP4 (0.44) MAPK1RBP4CREBBPEP300BRD4
SCHEMBL17229740 0.80 MAPK1 (0.36) MAPK1RBP4CYP2C19CREBBPEP300
SCHEMBL17229850 0.79 RBP4 (0.44) RBP4CREBBPEP300BRD4
SCHEMBL17229734 0.79 RBP4 (0.43) MAPK1RBP4CREBBPEP300BRD4
SCHEMBL17229729 0.79 RBP4 (0.39) MAPK1RBP4CREBBPEP300BRD4
SCHEMBL17229691 0.79 CREBBP (0.53) MAPK1RBP4CREBBPEP300BRD4
SCHEMBL17229710 0.78 RBP4 (0.46) MAPK1RBP4CREBBPEP300BRD4
SCHEMBL17229724 0.77 CGAS (0.42) MAPK1RBP4CREBBPEP300BRD4

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 MAPK1 2271/4885RBP4 1884/4885CYP2C19 427/4885

“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.