SCHEMBL22958124

SCHEMBL22958124

CNC(=O)N1CCCc2[nH]nc(SC)c2C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 5/20 0.38
BAZ2B Q9UIF8 2/20 0.37
CREBBP Q92793 7/20 0.36
EP300 Q09472 6/20 0.36
BRD4 O60885 2/20 0.36
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
PLA2G1B P04054 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KMT2A Q03164 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL19831719 0.92 BAZ2B (0.44) RBP4BAZ2BCREBBPEP300BRD4
SCHEMBL17232824 0.83 CREBBP (0.39) RBP4BAZ2BCREBBPEP300BRD4
SCHEMBL24045537 0.82 RIPK1 (0.43) CREBBPEP300BRD4MAPK1PLA2G1B
SCHEMBL21334029 0.82 CREBBP (0.40) RBP4BAZ2BCREBBPEP300BRD4
SCHEMBL18798822 0.81 BAZ2B (0.40) RBP4BAZ2BCREBBPEP300BRD4
SCHEMBL19297272 0.75 CYP2C19 (0.51) KMT2AHCAR2
SCHEMBL17232822 0.74 CREBBP (0.46) RBP4BAZ2BCREBBPEP300BRD4
SCHEMBL24728275 0.74 RBP4 (0.57) RBP4PLA2G1BATG4B
SCHEMBL21255668 0.74 CREBBP (0.46) RBP4BAZ2BCREBBPEP300BRD4
SCHEMBL18798833 0.72 BAZ2B (0.47) RBP4BAZ2BCREBBPEP300BRD4

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-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-02-09 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-10913746-B2 Substituted 4-phenylpiperidines, their preparation and use HRH4, HRH3, HRH2 RBP4 1884/4885BAZ2B 604/4885CREBBP 1412/4885

“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.