SCHEMBL17229772

SCHEMBL17229772

CCS(=O)(=O)N1CCCc2[nH]cc(C(C)C)c2C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MCL1 Q07820 1/20 0.32
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PARP1 P09874 2/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL17229721 0.91 JAK2 (0.32)
SCHEMBL17229700 0.88 KCNK3 (0.32) TSHRALDH1A1MEN1KMT2A
SCHEMBL17229720 0.86 F12 (0.31) TSHRALDH1A1MEN1KMT2A
SCHEMBL17232657 0.82 TSHR (0.33) TSHRKDM4EALDH1A1MEN1KMT2A
SCHEMBL17229712 0.76 CREBBP (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL17232666 0.76 JAK2 (0.31)
SCHEMBL17465954 0.74 CYP2C19 (0.36)
SCHEMBL17229714 0.73 KDR (0.36) KDM4EALDH1A1MEN1KMT2A
SCHEMBL17232651 0.71 LMNA (0.32)
SCHEMBL17229715 0.71 RIPK1 (0.46) MEN1KMT2A

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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-11-05 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-20150315197-A1 SUBSTITUTED 4-PHENYLPIPERIDINES, THEIR PREPARATION AND USE HRH4, HRH3, HRH2 TSHR 110/4885KDM4E 1520/4885MCL1 3038/4885

“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.