SCHEMBL3111181

SCHEMBL3111181

OC1(c2cc(F)cc(Cl)c2)CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
KMT2A Q03164 1/20 0.59
CCR3 P51677 2/20 0.56
OPRL1 P41146 6/20 0.55
POLB P06746 1/20 0.53
SSTR5 P35346 1/20 0.45
DRD4 P21917 2/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
CCR1 P32246 1/20 0.43

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
SCHEMBL1824558 0.92 KDM4E (0.64) KDM4EKMT2ACCR3OPRL1POLB
Hydrochloric Acid SCHEMBL9310876 0.84 KDM4E (0.67) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL8891162 0.83 CCR3 (0.76) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL1820347 0.82 KDM4E (0.69) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL3111590 0.82 DRD2 (0.46) KDM4EKMT2ASSTR5DRD4DRD2
SCHEMBL29087358 0.81 CCR3 (0.83) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL10226080 0.81 OPRL1 (0.81) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL2426386 0.80 CCR3 (0.41) KDM4EKMT2ACCR3OPRL1POLB
SCHEMBL3113655 0.80 DRD2 (0.48) SSTR5DRD4DRD2DRD3
SCHEMBL3122103 0.79 DRD2 (0.43) SSTR5DRD4DRD2DRD3

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
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
US-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US disclosed
EP-2155671-A2 NEW DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-02-24 EP disclosed
WO-2008148801-A2 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-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION PNMT, DBH, SLC6A2 KDM4E 1020/4885KMT2A 2547/4885CCR3 3828/4885

“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.