SCHEMBL3454609

SCHEMBL3454609

FC(F)(F)c1cccc(N2CCN(CCc3ccccc3)CC2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 1.00
HTR1A P08908 9/20 0.79
ALDH1A1 P00352 1/20 0.79
CYP1A2 P05177 1/20 0.79
CYP3A4 P08684 1/20 0.79
CYP2D6 P10635 1/20 0.79
MAPT P10636 1/20 0.79
TSHR P16473 1/20 0.79
NFKB1 P19838 1/20 0.79
MAPK1 P28482 1/20 0.79
CYP2C19 P33261 1/20 0.79
THPO P40225 1/20 0.79
MTOR P42345 1/20 0.79
BLM P54132 1/20 0.79
PMP22 Q01453 1/20 0.79
SMN1; SMN2 Q16637 1/20 0.79
TDP1 Q9NUW8 1/20 0.79
DRD2 P14416 4/20 0.66
HTR2A P28223 2/20 0.65
HTR2C P28335 1/20 0.61

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
SCHEMBL9378627 0.91 SIGMAR1 (1.00) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL14410956 0.88 HTR1A (1.00) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL31513986 0.88 ALDH1A1 (1.00) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL3976547 0.88 ALDH1A1 (1.00) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL15263292 0.87 ALDH1A1 (0.98) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL10900911 0.87 SIGMAR1 (0.76) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL6864697 0.86 SIGMAR1 (0.76) SIGMAR1HTR1AALDH1A1TSHRTDP1
SCHEMBL11465528 0.84 SIGMAR1 (0.76) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL13959478 0.84 SIGMAR1 (0.72) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4
SCHEMBL1298949 0.82 SIGMAR1 (0.70) SIGMAR1HTR1AALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0591426-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1994-04-13 EP claimed
WO-1993000313-A2 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1993-01-07 WO claimed
WO-1991009594-A1 SIGMA RECEPTOR LIGANDS AND THE USE THEREOF VIRGINIA COMMONWEALTH UNIVERSITY (US) 1991-07-11 WO claimed
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
EP-1428822-B1 1-phenylpiperazine derivative as modulators of dopamine neurotransmission NSAB AF NEUROSEARCH SWEDEN AB (DK) 2010-12-15 EP disclosed
US-7417043-B2 Modulators of dopamine neurotransmission NEUROSEARCH SWEDEN AB (SE) 2008-08-26 US disclosed
EP-1341777-B1 1-(2-M-METHANESULFONAMIDOPHENYLETHYL)-4-(M-TRIFLUOROMETHYLPHENYL)PIPERAZINE AND PHARMACEUTICALLY ACCEPTABLE SALTS AND SOLVATES THEREOF AND THEIR USE IN THE TREATEMENT OF INCONTINENCE LILLY CO ELI (US) 2007-09-26 EP disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
EP-1240142-B1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION CARLSSON A RESEARCH AB (SE) 2005-10-19 EP disclosed
US-6903120-B2 A 4-(phenyl-N- alkyl)-piperidine derivatives for treatment of central nervous system disorders, Parkinson disease, anxiety, dyskinesias, dystonias, Tourette's disease, psychoses, hallucinoses, sleep disorder, autism A. CARLSSON RESEARCH AB (SE) 2005-06-07 US disclosed
EP-1428822-A2 1-phenylpiperazine derivative as modulators of dopamine neurotransmission A. Carlsson Research AB (SE) 2004-06-16 EP disclosed
US-20030139423-A1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2003-07-24 US disclosed
EP-1240142-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. Carlsson Research AB (SE) 2002-09-18 EP disclosed
US-6313297-B1 CATALYTIC ALKYLATION; BY-PRODUCT INHIBITION AVENTIS RESEARCH & TECHNOLOGIES (DE) 2001-11-06 US disclosed
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 WO disclosed
EP-1047680-A2 BASE-CATALYZED SYNTHESIS OF 1-ARYL-4-(ARYL ETHYL)PIPERAZINES FROM AROMATIC OLEFINS AND 1-ARYL PIPERAZINES Aventis Research & Technologies GmbH & Co KG (DE) 2000-11-02 EP disclosed
WO-1999036412-A2 BASE-CATALYZED SYNTHESIS OF 1-ARYL-4-(ARYL ETHYL)PIPERAZINES FROM AROMATIC OLEFINS AND 1-ARYL PIPERAZINES AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) 1999-07-22 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 (2 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-20060135531-A1 Modulators of dopamine neurotransmission SLC6A3, BRS3, CHRNA3 SIGMAR1 54/4885HTR1A 152/4885ALDH1A1 2313/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 SIGMAR1 9/4885HTR1A 90/4885ALDH1A1 2122/4885

“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.