SCHEMBL4155772

SCHEMBL4155772

CNCc1ccc(Cl)cc1.COC(CBr)OC

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
NCF1 P14598 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
HTR2A P28223 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL296162 0.80 TAAR1 (0.60) TAAR1MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8185830 0.78 KDM4E (0.58) TAAR1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2091032 0.74 TAAR1 (0.54) TAAR1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL28651525 0.69 LOXL2 (0.59) TAAR1MEN1KMT2ACYP2C9CYP2C19
SCHEMBL2504209 0.68 KDM4E (0.68) TAAR1LOXL2NCF1KDM4ECYP3A4
SCHEMBL12482249 0.67 LOXL2 (0.45) MEN1KMT2ATDP1LOXL2NCF1
SCHEMBL24821237 0.67 KMT2A (0.77) MEN1KMT2ACYP2C9CYP2C19RAB9A
SCHEMBL2750084 0.67 MEN1 (0.58) MEN1KMT2ACYP2C9CYP2C19RAB9A
SCHEMBL6077220 0.66 SMN1; SMN2 (0.50) TAAR1MEN1KMT2ACYP2C9CYP2C19
Hydrochloric Acid SCHEMBL30925271 0.66 KDM4E (0.74) TAAR1LOXL2NCF1KDM4ECYP3A4

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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2009-03-19 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-20090076081-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 TAAR1 210/4885MEN1 4790/4885KMT2A 778/4885

“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.