SCHEMBL4823773

SCHEMBL4823773

CCCN1CCC(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 1.00
ALDH1A1 P00352 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
DRD4 P21917 1/20 0.58
GRM2 Q14416 1/20 0.58
SLC6A4 P31645 1/20 0.57
DRD3 P35462 1/20 0.56
HTR2C P28335 2/20 0.55
UBE2M P61081 1/20 0.52
DCUN1D1 Q96GG9 1/20 0.52

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
SCHEMBL31060813 0.93 DRD2 (0.87) DRD2SIGMAR1DRD4DRD3
SCHEMBL4824740 0.92 DRD2 (0.85) DRD2ALDH1A1SMN1; SMN2DRD4GRM2
SCHEMBL7761731 0.85 DRD2 (0.74) DRD2SIGMAR1DRD4DRD3
SCHEMBL12524340 0.84 DRD2 (0.73) DRD2DRD4GRM2DRD3HTR2C
SCHEMBL6926283 0.84 DRD2 (0.72) DRD2ALDH1A1DRD4GRM2DRD3
SCHEMBL11822283 0.82 DRD2 (0.69) DRD2SIGMAR1DRD4GRM2SLC6A4
SCHEMBL1009485 0.81 DRD2 (0.67) DRD2ALDH1A1SMN1; SMN2SLC6A4UBE2M
Oxalic Acid SCHEMBL11408676 0.80 DRD2 (0.67) DRD2SIGMAR1DRD4DRD3
SCHEMBL9311321 0.80 DRD2 (0.66) DRD2ALDH1A1SMN1; SMN2SIGMAR1DRD4
SCHEMBL9311044 0.80 DRD2 (0.66) DRD2ALDH1A1SIGMAR1DRD4GRM2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46117-E1 Modulators of dopamine neurotransmission TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2016-08-23 US disclosed
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-8314126-B2 Disubstituted phenylpiperdines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2012-11-20 US disclosed
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US disclosed
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2010-10-07 US disclosed
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 US disclosed
US-7763639-B2 Disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH SWEDEN AB, SVERIGE (DK) 2010-07-27 US disclosed
EP-2204363-A1 New disubstituted phenylpiperidines/piperazines as modulators of dopamine neurotransmission NSAB, Filial af NeuroSearch Sweden AB, Sverige (DK) 2010-07-07 EP disclosed
EP-1765779-B1 NEW SUBSTITUTED PIPERIDINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION NSAB AF NEUROSEARCH SWEDEN AB (DK) 2009-11-18 EP disclosed
US-7579474-B2 Substituted piperidines as modulators of dopamine neurotransmission NSAB, FILIAL AF NEUROSEARCH AB, SVERIGE (DK) 2009-08-25 US disclosed
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION SANIONA AB (DK) 2007-06-28 US disclosed
US-20070032655-A1 1-(2-(4-(3-trifluoromethyl-phenyl)piperazin-1-yl) ethyl)-2,3-dihydro-1H-benzimidazol-2-one (flibanserin); useful for treating psychological and nervous system disorders; prepared by heating a benzimidazolone compound with a piperazine derivative BIDACHEM SPA (IT) 2007-02-08 US disclosed
US-20060135531-A1 Modulators of dopamine neurotransmission A. CARLSSON RESEARCH AB (SE) 2006-06-22 US disclosed
WO-2005121087-A1 NEW DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2005-12-22 WO 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
WO-2001046145-A1 NEW MODULATORS OF DOPAMINE NEUROTRANSMISSION A. CARLSSON RESEARCH AB (SE) 2001-06-28 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 (5 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 DRD2 18/4885ALDH1A1 2313/4885SMN1; SMN2 738/4885
US-20100256163-A1 DISUBSTITUTED PHENYLPIPERDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885ALDH1A1 1194/4885SMN1; SMN2 1353/4885
US-20030139423-A1 Modulators of dopamine neurotransmission OPRD1, OPRK1, OPRM1 DRD2 16/4885ALDH1A1 2122/4885SMN1; SMN2 528/4885
US-20070149542-A1 DISUBSTITUTED PHENYLPIPERIDINES/PIPERAZINES AS MODULATORS OF DOPAMINE NEUROTRANSMISSION DRD2, DRD4, DRD1 DRD2 1/4885ALDH1A1 1189/4885SMN1; SMN2 1180/4885
US-20070032655-A1 1-(2-(4-(3-trifluoromethyl-phenyl)piperazin-1-yl) ethyl)-2,3-dihydro-1H-benzimidazol-2-one (flibanserin); useful for treating psychological and nervous system disorders; prepared by heating a benzimidazolone compound with a piperazine derivative HTR1B, HTR3A, HTR5A DRD2 44/4885ALDH1A1 837/4885SMN1; SMN2 2514/4885

“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.