Serlopitant

Serlopitant

SCHEMBL3184271

C[C@@H](O[C@H]1CC[C@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TACR1

The experimentally established mechanism targets of Serlopitant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 known ✓ P25103 20/20 1.00
TACR2 P21452 2/20 1.00
CYP3A4 P08684 1/20 1.00
CYP2C8 P10632 1/20 1.00
CYP2D6 P10635 1/20 1.00
CYP2C9 P11712 1/20 1.00
TACR3 P29371 1/20 1.00
CYP2C19 P33261 1/20 1.00
KCNH2 Q12809 1/20 0.58
NR1I2 O75469 1/20 0.57

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
Serlopitant SCHEMBL3183159 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
Serlopitant SCHEMBL16333766 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
Serlopitant SCHEMBL16280735 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
Serlopitant SCHEMBL12646287 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
Serlopitant SCHEMBL24067973 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
Serlopitant SCHEMBL23883105 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
Serlopitant SCHEMBL16280736 1.00 TACR1 (1.00) TACR1TACR2CYP3A4CYP2C8CYP2D6
SCHEMBL13531608 0.95 TACR1 (0.91) TACR1TACR2CYP3A4CYP2C8CYP2D6
SCHEMBL16280639 0.95 TACR1 (0.91) TACR1TACR2CYP3A4CYP2C8CYP2D6
SCHEMBL16353223 0.95 TACR1 (0.91) TACR1TACR2CYP3A4CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937264-B1 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK SHARP & DOHME (US) 2011-06-08 EP disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-7893091-B2 Combination therapy for the treatment of urinary frequency, urinary urgency and urinary incontinence MERCK SHARP & DOHME CORP. (US) 2011-02-22 US disclosed
US-20100113469-A1 COMBINATION THERAPY FOR THE TREATMENT-OF LOWER URINARY TRACT SYMPTOMS MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-20100113469-A1 COMBINATION THERAPY FOR THE TREATMENT-OF LOWER URINARY TRACT SYMPTOMS MERCK & CO., INC. (US) 2010-05-06 US disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 US disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 US disclosed
US-7645790-B2 Hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2010-01-12 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MERCK SHARP & DOHME CORP. 2009-10-29 US disclosed
EP-1711465-B1 HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2007-12-26 EP disclosed
WO-2007146224-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-12-21 WO disclosed
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 US disclosed
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 US disclosed
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2007-07-12 US disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
US-7217731-B2 Hydroisoindoline tachykinin receptor antagonists MERCK & CO., INC. (US) 2007-05-15 US disclosed
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed
US-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2005-07-28 US 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-20050165083-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885TACR2 2/4885CYP3A4 3228/4885
US-20100113469-A1 COMBINATION THERAPY FOR THE TREATMENT-OF LOWER URINARY TRACT SYMPTOMS KLK5, ADRB1, ADRB3 TACR1 17/4885TACR2 23/4885CYP3A4 1595/4885
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885TACR2 2/4885CYP3A4 3228/4885
US-20090270406-A1 Combination Therapy for the Treatment of Urinary Frequency, Urinary Urgency and Urinary Incontinence MME, UTS2R, BPHL TACR1 7/4885TACR2 52/4885CYP3A4 2042/4885

“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.