SCHEMBL21964089

SCHEMBL21964089

Cc1cc(CO)c(CCl)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.38
NR3C1 P04150 6/20 0.38
S1PR1 P21453 5/20 0.37
TSHR P16473 1/20 0.36
TSPO P30536 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL29368467 1.00 CYP2C19 (0.38) CYP2C19NR3C1S1PR1TSHRTSPO
SCHEMBL22014041 0.93 CYP2C19 (0.43) CYP2C19NR3C1S1PR1TSHRTSPO
SCHEMBL12950800 0.75 CYP2C19 (0.45) CYP2C19NR3C1S1PR1TSHRCRHBP
Hydrochloric Acid SCHEMBL29813949 0.74 CYP2C19 (0.44) CYP2C19NR3C1S1PR1TSHRCRHBP
Hydrochloric Acid SCHEMBL4539873 0.74 CYP2C19 (0.44) CYP2C19NR3C1S1PR1TSHRCRHBP
SCHEMBL18298063 0.73 CYP2C19 (0.54) CYP2C19NR3C1S1PR1TSHRCRHBP
SCHEMBL18507803 0.70 CYP2C19 (0.46) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL273356 0.70 CYP2C19 (0.46) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL21963902 0.70 TSPO (0.49) CYP2C19NR3C1TSHRTSPOTRPM8
SCHEMBL7002879 0.69 CYP2C19 (0.49) CYP2C19NR3C1TSHRTSPOTRPM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
US-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2023-02-02 US disclosed
EP-3880308-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS The University Of Sheffield (GB) 2021-09-22 EP disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO disclosed
WO-2020099885-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS THE UNIVERSITY OF SHEFFIELD (GB) 2020-05-22 WO 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-20230036854-A1 HETEROCYCLIC SPIRO-COMPOUNDS AS AM2 RECEPTOR INHIBITORS MC2R, AGTR2, NR3C2 CYP2C19 551/4885NR3C1 234/4885S1PR1 404/4885

“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.