SCHEMBL7355118

SCHEMBL7355118

CCCN1CCC[C@@H](c2cccc(C#N)c2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 11/20 1.00
DRD2 P14416 11/20 1.00
NFKB1 P19838 2/20 1.00
CYP2D6 P10635 1/20 1.00
TSHR P16473 1/20 1.00
CASP1 P29466 1/20 1.00
NPSR1 Q6W5P4 1/20 0.97
DRD1 P21728 2/20 0.77
DRD4 P21917 2/20 0.77
DRD5 P21918 2/20 0.77
PRCP P42785 1/20 0.67
EBP Q15125 1/20 0.67
SIGMAR1 Q99720 1/20 0.67

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
SCHEMBL872942 1.00 DRD3 (1.00) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7346180 1.00 DRD3 (1.00) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7351587 0.93 DRD3 (0.86) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7351002 0.92 DRD3 (0.85) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL19723276 0.90 DRD3 (0.81) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7349038 0.90 DRD3 (1.00) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7347167 0.87 DRD3 (1.00) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL4827536 0.85 DRD2 (0.74) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7349233 0.84 DRD3 (1.00) DRD3DRD2NFKB1CYP2D6TSHR
SCHEMBL7348713 0.84 DRD3 (1.00) DRD3DRD2NFKB1CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197032-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A. CARLSSON RESEARCH AB (SE) 2013-08-01 US claimed
EP-0641320-B1 SUBSTITUTED (S)-3-PHENYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR ANTAGONISTS UPJOHN CO (US) 2001-05-30 EP claimed
EP-2155671-B1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2017-12-20 EP disclosed
US-20130197032-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS A. CARLSSON RESEARCH AB (SE) 2013-08-01 US 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-8188301-B2 Disubstituted phenylpyrrolidines as modulators of cortical catecholaminergic neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-05-29 US disclosed
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
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-08-05 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
US-20100179211-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL AF NEUROSEARCH SWEDEN AB (DK) 2010-07-15 US 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
WO-2008148801-A2 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION NSAB, FILIAL OF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2008-12-11 WO disclosed
EP-0641320-B1 SUBSTITUTED (S)-3-PHENYLPIPERIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR ANTAGONISTS UPJOHN CO (US) 2001-05-30 EP disclosed
US-5594024-A ANTIDEPRESSANTS; TREATMENT OF NARCOLEPSY, SCHIZOPHRENIA, DRUG ABUSE THE UPJOHN COMPANY (US) 1997-01-14 US disclosed
US-5462947-A Nervous system disorders THE UPJOHN COMPANY (US) 1995-10-31 US disclosed
EP-0641320-A1 NEW CENTRALLY ACTING SUBSTITUTED PHENYLAZACYCLOALKANES PHARMACIA & UPJOHN COMPANY (US) 1995-03-08 EP disclosed
WO-1992018475-A2 SUBSTITUTED PHENYLAZACYCLOALKANES AS CNS AGENTS THE UPJOHN COMPANY (US) 1992-10-29 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 (3 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 DRD3 24/4885DRD2 9/4885NFKB1 3441/4885
US-20100197760-A1 DISUBSTITUTED PHENYLPYRROLIDINES AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION SLC6A2, SLC6A3, SLC18A2 DRD3 17/4885DRD2 6/4885NFKB1 3460/4885
US-20130197032-A1 PHENYLPIPERIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS HTR5A, HTR2A, HTR1A DRD3 186/4885DRD2 36/4885NFKB1 1731/4885

“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.