SCHEMBL3955237

SCHEMBL3955237

OC1(C(CN2CCNCC2)c2cccc(Cl)c2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 20/20 1.00
SLC6A3 Q01959 12/20 1.00
SLC6A4 P31645 10/20 1.00

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
SCHEMBL3972746 1.00 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3974156 1.00 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3975345 1.00 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3975368 1.00 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3961159 0.99 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3980403 0.99 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3973936 0.99 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3978357 0.99 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL3975894 0.99 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4
SCHEMBL3974026 0.99 SLC6A2 (0.98) SLC6A2SLC6A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7531543-B2 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2009-05-12 US claimed
EP-1846105-A2 USE OF ADRENERGIC ALPHA2B ANTAGONISTS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS Wyeth (US) 2007-10-24 EP claimed
EP-1551413-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS Wyeth a Corporation of the State of Delaware (US) 2005-07-13 EP claimed
EP-1551380-A1 A METHOD OF TREATING VASOMOTOR SYMPTOMS COMPRISING A COMPOUND HAVING NOREPINEPHRINE REUPTAKE INHIBITOR ACTIVITY AND 5-HT2A ANTAGONISTIC ACTIVITY Wyeth (US) 2005-07-13 EP claimed
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use WYETH (US) 2005-06-30 US claimed
US-20050130987-A1 Methods of treating vasomotor symptoms WYETH (US) 2005-06-16 US claimed
WO-2005037260-A2 USE OF ADRENERGIC ALPHAZE ANTAGONISTS FOR THE TREATMENT OF VASOMOTOR SYMPTOMS WYETH (US) 2005-04-28 WO claimed
US-20040152710-A1 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH 2004-08-05 US claimed
WO-2004035036-A1 A METHOD OF TREATING VASOMOTOR SYMPTOMS COMPRISING A COMPOUND HAVING NOREPINEPHRINE REUPTAKE INHIBITOR ACTIVITY AND 5-HT2A ANTAGONISTIC ACTIVITY WYETH (US) 2004-04-29 WO claimed
WO-2004035058-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS WYETH (US) 2004-04-29 WO claimed
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2009-09-10 US disclosed
US-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-7550456-B2 Substituted aryl cycloalkanoyl derivatives and methods of their use WYETH (US) 2009-06-23 US disclosed
US-20040152710-A1 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH 2004-08-05 US disclosed
US-20040143008-A1 Use of norepinephrine reuptake modulators for preventing and treating vasomotor symptoms WYETH 2004-07-22 US disclosed
WO-2004035036-A1 A METHOD OF TREATING VASOMOTOR SYMPTOMS COMPRISING A COMPOUND HAVING NOREPINEPHRINE REUPTAKE INHIBITOR ACTIVITY AND 5-HT2A ANTAGONISTIC ACTIVITY WYETH (US) 2004-04-29 WO disclosed
WO-2004035035-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS WYETH (US) 2004-04-29 WO disclosed
WO-2004035058-A1 USE OF NOREPINEPHRINE REUPTAKE MODULATORS FOR PREVENTING AND TREATING VASOMOTOR SYMPTOMS WYETH (US) 2004-04-29 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 (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-20090227585-A1 SUBSTITUTED N-HETEROCYCLE DERIVATIVES AND METHODS OF THEIR USE MAOA, MAOB, SDHA SLC6A2 71/4885SLC6A3 116/4885SLC6A4 44/4885
US-20050143394-A1 Phenylpiperazine cycloalkanol derivatives and methods of their use HTR5A, PNMT, HTR3A SLC6A2 49/4885SLC6A3 100/4885SLC6A4 56/4885

“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.