SCHEMBL1505912

SCHEMBL1505912

Fc1ccc(C(OCCC2CCN(CCCc3ccccc3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 1.00
SLC6A4 P31645 4/20 1.00
CYP2D6 P10635 2/20 0.84
SLC6A2 P23975 3/20 0.77
MEN1 O00255 2/20 0.77
ALDH1A1 P00352 2/20 0.77
LMNA P02545 2/20 0.77
MAPK1 P28482 2/20 0.77
KMT2A Q03164 2/20 0.77
SMN1; SMN2 Q16637 2/20 0.77
TDP1 Q9NUW8 2/20 0.77
NPC1 O15118 1/20 0.77
TP53 P04637 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
MAPT P10636 1/20 0.77
CYP2C9 P11712 1/20 0.77
TSHR P16473 1/20 0.77
NFKB1 P19838 1/20 0.77
CYP2C19 P33261 1/20 0.77

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
SCHEMBL1505918 0.92 SLC6A4 (0.85) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
Vanoxerine SCHEMBL246574 0.87 SLC6A4 (1.00) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
SCHEMBL10000765 0.86 SLC6A4 (0.97) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
Vanoxerine SCHEMBL725103 0.86 SLC6A4 (1.00) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
Vanoxerine SCHEMBL15541249 0.86 SLC6A4 (1.00) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
Vanoxerine SCHEMBL3014060 0.85 SLC6A4 (0.95) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
SCHEMBL7325179 0.83 SLC6A4 (0.71) SLC6A3SLC6A4CYP2D6KCNH2SIGMAR1
SCHEMBL6254945 0.82 SLC6A4 (0.90) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
SCHEMBL24221220 0.82 SLC6A4 (0.88) SLC6A3SLC6A4CYP2D6SLC6A2MEN1
Hydrochloric Acid SCHEMBL7319263 0.82 SLC6A4 (0.69) SLC6A3SLC6A4CYP2D6KCNH2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION ADERANS RESEARCH INSTITUTE, INC. 2012-09-27 US disclosed
US-8273747-B2 tert-Butyl (4-((4'-cyano-4-methoxy-biphenyl-3-ylmethyl)-amino)-cyclohexyl)-methyl-carbamate; hedgehog pathway agonists; alopecia; angiogenesis; wound healing; alzheimer's disease; inhibit aging effects on skin CURIS, INC. (US) 2012-09-25 US disclosed
US-8211916-B2 Central nervous system disorders; drug abuse; Parkinson's disease; antidepressants WAYNE STATE UNIVERSITY (US) 2012-07-03 US disclosed
EP-2291378-A2 N- AND O-SUBSTITUTED 4-Ý2-(DIPHENYLMETHOXY)-ETHYL¨-1-Ý(PHENYL)METHYL¨PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2011-03-09 EP disclosed
US-20100016600-A1 N- and O-Substituted 4-[2-(Diphenylmethoxy)-Ethyl]-1-[(Phenyl)Methyl]Piperdine Analogs and Methods of Treating CNS Disorders Therewith WAYNE STATE UNIVERSITY (US) 2010-01-21 US disclosed
US-7595331-B2 N-and O-substituted 4-[2-(diphenylmethoxy)-ethyl]-1-[(phenyl)methyl]piperidine analogs and methods of treating CNS disorders therewith WAYNE STATE UNIVERSITY (US) 2009-09-29 US disclosed
WO-2009094428-A2 N- AND O-SUBSTITUTED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2009-07-30 WO disclosed
WO-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed
US-20080193423-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20080194637-A1 Small organic molecule regulators of cell proliferation CURIS, INC. (US) 2008-08-14 US disclosed
US-20020161002-A1 Norepinephrine reuptake inhibitors; to increase memory function such as long-term memory and recall ability SENTION, INC. 2002-10-31 US disclosed
US-20020115725-A1 Methods and compositions for regulating memory consolidation PRIESTLEY, KATHERINE (GB) 2002-08-22 US disclosed
US-20020103162-A1 Use of threo-methylphenidate compounds to enhance memory SENTION, INC. 2002-08-01 US disclosed
WO-2002053104-A2 USE OF CATECHOLAMINE REUPTAKE INHIBITORS TO ENHANCE MEMORY SENTION, INC. (US) 2002-07-11 WO disclosed
WO-2002039998-A2 METHODS AND COMPOSITIONS FOR REGULATING MEMORY CONSOLIDATION SENTION, INC. (US) 2002-05-23 WO disclosed
WO-2002017920-A2 USE OF METHYLPHENIDATE COMPOUNDS TO ENHANCE MEMORY SENTION, INC (US) 2002-03-07 WO disclosed
WO-2002017919-A2 USE OF THREO-METHYLPHENIDATE COMPOUNDS TO ENHANCE MEMORY SENTION, INC. (US) 2002-03-07 WO disclosed
WO-2001098266-A2 N-AND O-SUBSTITUTED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2001-12-27 WO disclosed
US-6218595-B1 GENETICALLY ENGINEERED CELLS; FOR USE AS TEST MODELS IN THE TREATMENT OF PARKINSON'S DISEASE OR DYSKINESIS DUKE UNIVERSITY 2001-04-17 US disclosed
WO-1997012513-A1 DOPAMINE TRANSPORTER KNOCKOUT MICE DUKE UNIVERSITY (US) 1997-04-10 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 (6 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-20100016600-A1 N- and O-Substituted 4-[2-(Diphenylmethoxy)-Ethyl]-1-[(Phenyl)Methyl]Piperdine Analogs and Methods of Treating CNS Disorders Therewith SLC6A3, SLC6A2, PNMT SLC6A3 1/4885SLC6A4 4/4885CYP2D6 322/4885
US-20080193423-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SLC6A3 4302/4885SLC6A4 4446/4885CYP2D6 4780/4885
US-20120245184-A1 SMALL ORGANIC MOLECULE REGULATORS OF CELL PROLIFERATION GLI1, SHH, SMO SLC6A3 4302/4885SLC6A4 4446/4885CYP2D6 4780/4885
US-20020103162-A1 Use of threo-methylphenidate compounds to enhance memory SLC6A3, SLC6A2, PNMT SLC6A3 1/4885SLC6A4 4/4885CYP2D6 1069/4885
US-20080194637-A1 Small organic molecule regulators of cell proliferation GLI1, SHH, SMO SLC6A3 4302/4885SLC6A4 4446/4885CYP2D6 4780/4885
US-20020115725-A1 Methods and compositions for regulating memory consolidation BDNF, CHAT, GAP43 SLC6A3 1970/4885SLC6A4 2396/4885CYP2D6 4862/4885

“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.