SCHEMBL1821499

SCHEMBL1821499

ON1CCC(c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
TSHR P16473 1/20 0.51
AGTR1 P30556 1/20 0.51
PROKR1 Q8TCW9 1/20 0.44
GRM5 P41594 1/20 0.43
DPP4 P27487 3/20 0.40
KMT2A Q03164 2/20 0.40
NOTUM Q6P988 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
CNR1 P21554 1/20 0.39

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
SCHEMBL1827761 0.84 PROKR1 (0.46) PROKR1GRM5
SCHEMBL1822952 0.84 PROKR1 (0.46) GAATSHRAGTR1PROKR1KMT2A
SCHEMBL1824248 0.80 MEN1 (0.46) GAATSHRAGTR1PROKR1KMT2A
SCHEMBL13698239 0.78 DRD2 (0.46) GAATSHRAGTR1PROKR1GRM5
SCHEMBL1821970 0.77 IDO1 (0.43) TSHRNOTUM
SCHEMBL13698227 0.76 PROKR1 (0.41) GAATSHRAGTR1PROKR1GRM5
SCHEMBL4969638 0.76 OPRL1 (0.47) GAATSHRAGTR1GRM5KMT2A
SCHEMBL433540 0.76 GAA (0.52) GAATSHRAGTR1USP2MAPT
SCHEMBL1822297 0.74 ALDH1A1 (0.35) NOTUMALDH1A1
SCHEMBL27957697 0.73 PROKR1 (0.46) GAATSHRAGTR1PROKR1

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 GAA 2081/4885TSHR 913/4885AGTR1 367/4885

“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.