SCHEMBL1822952

SCHEMBL1822952

ON1CCC(c2ccc(Cl)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 1/20 0.46
OPRL1 P41146 6/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
AGTR1 P30556 1/20 0.39
MC4R P32245 2/20 0.37
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
KMT2A Q03164 1/20 0.37
USP30 Q70CQ3 1/20 0.36
CXCR3 P49682 1/20 0.35
HSD11B1 P28845 1/20 0.34

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
SCHEMBL1821076 0.84 GRM2 (0.41) OPRL1HTR2AHTR2CHTR2BHSD11B1
SCHEMBL1821499 0.84 GAA (0.51) PROKR1GAATSHRAGTR1KMT2A
SCHEMBL1824551 0.81 OPRL1 (0.58) PROKR1OPRL1HTR2CHTR2B
SCHEMBL1827761 0.78 PROKR1 (0.46) PROKR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL1825849 0.78 RBP4 (0.42) OPRL1
SCHEMBL21029295 0.78 OPRL1 (0.46) PROKR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL4969208 0.78 OPRL1 (0.64) PROKR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL433273 0.77 OPRL1 (0.59) PROKR1OPRL1HTR2AHTR2CHTR2B
SCHEMBL1822297 0.75 ALDH1A1 (0.35)
SCHEMBL1822924 0.75 SLC6A2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155669-B1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2011-05-04 EP disclosed
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 US disclosed
EP-2155669-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148799-A1 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 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-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 PROKR1 2167/4885OPRL1 47/4885HTR2A 49/4885

“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.