SCHEMBL14734867

SCHEMBL14734867

c1ccc(Sc2ccccc2N2CCNCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
HTR3A P46098 20/20 1.00
CYP1A2 P05177 7/20 0.77
CYP3A4 P08684 7/20 0.77
CYP2D6 P10635 7/20 0.77
CYP2C9 P11712 7/20 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
SCHEMBL546723 0.87 HTR1A (0.78) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546677 0.87 HTR1A (0.77) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL546684 0.87 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL547488 0.87 HTR1A (0.77) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL547068 0.87 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL547714 0.86 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
Bromide SCHEMBL20360588 0.86 HTR1A (0.97) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL547667 0.84 HTR1A (0.82) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL27976827 0.84 HTR1A (1.00) HTR1AHTR3ACYP1A2CYP3A4CYP2D6
SCHEMBL27550397 0.84 HTR1A (0.71) HTR1AHTR3ACYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200207-A1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR USE AS A PROMOTER OF SATELLITE CELLS SELF-RENEWAL AND/OR DIFFERENTIATION Universite De Paris (FR) 2018-07-19 US disclosed
US-9822086-B2 Process for the preparation of vortioxetine salts EGIS GYOGYSZERGYAR ZRT. (HU) 2017-11-21 US disclosed
US-9708280-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2017-07-18 US disclosed
US-9708280-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2017-07-18 US disclosed
US-20170114034-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE SALTS EGIS GYOGYSZERGYAR ZRT. (HU) 2017-04-27 US disclosed
EP-3099669-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE SALTS Egis Gyógyszergyár Zrt. (HU) 2016-12-07 EP disclosed
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors H. LUNDBECK A/S (DK) 2016-05-19 US disclosed
WO-2015114395-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE SALTS EGIS GYÓGYSZERGYÁR ZRT. (HU) 2015-08-06 WO disclosed
US-9090575-B2 Phenyl-piperazine derivatives as serotonin reuptake inhibitors H. LUNDBECK A/S (DK) 2015-07-28 US disclosed
US-20150110873-A1 ENTERIC TABLET TAKEDA PHARMACEUTICAL (JP) 2015-04-23 US disclosed
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS H. LUNDBECK A/S (DK) 2014-06-12 US disclosed
US-20130115292-A1 ENTERIC TABLET TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-09 US disclosed
EP-2564838-A1 ENTERIC TABLET Takeda Pharmaceutical Company Limited (JP) 2013-03-06 EP 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 (4 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-20170114034-A1 PROCESS FOR THE PREPARATION OF VORTIOXETINE SALTS SLC6A4, SLC6A2, SLC6A3 HTR1A 106/4885HTR3A 138/4885CYP1A2 230/4885
US-20140163043-A1 PHENYL-PIPERAZINE DERIVATIVES AS SEROTONIN REUPTAKE INHIBITORS TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885
US-20180200207-A1 5-HYDROXYTRYPTAMINE 1B RECEPTOR-STIMULATING AGENT FOR USE AS A PROMOTER OF SATELLITE CELLS SELF-RENEWAL AND/OR DIFFERENTIATION CHRNB1, HTR1B, CHRNB2 HTR1A 5/4885HTR3A 14/4885CYP1A2 3565/4885
US-20160137620-A1 Phenyl-Piperazine Derivatives As Serotonin Reuptake Inhibitors TPH1, HTR5A, HTR2C HTR1A 5/4885HTR3A 9/4885CYP1A2 309/4885

“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.