SCHEMBL1821970

SCHEMBL1821970

ON1CCC(c2cccc(Cl)c2Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.43
NOTUM Q6P988 2/20 0.40
GRM2 Q14416 2/20 0.39
TSHR P16473 1/20 0.38
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
DRD2 P14416 3/20 0.37
HTR1A P08908 1/20 0.36
HTR6 P50406 1/20 0.36
MAP1LC3B Q9GZQ8 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
SCHEMBL1822297 0.84 ALDH1A1 (0.35) NOTUMHTR6
SCHEMBL1825849 0.84 RBP4 (0.42)
SCHEMBL1822196 0.80 KDM4E (0.47) GRM2HTR2AHTR2CHTR2BDRD2
SCHEMBL3397657 0.77 IDO1 (0.45) IDO1NOTUMGRM2TSHRHTR2A
SCHEMBL1821499 0.77 GAA (0.51) NOTUMTSHR
SCHEMBL3773284 0.76 DRD2 (0.50) IDO1GRM2HTR2AHTR2CHTR2B
SCHEMBL1273995 0.76 HTR2A (0.48) IDO1GRM2TSHRHTR2AHTR2C
SCHEMBL27530383 0.75 TP53 (0.46) GRM2HTR1AHTR6
SCHEMBL1827761 0.74 PROKR1 (0.46) HTR2AHTR2CHTR2B
SCHEMBL1822869 0.73 CALCRL (0.40) HTR2CHTR2B

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 IDO1 938/4885NOTUM 2794/4885GRM2 237/4885

“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.