SCHEMBL3176573

SCHEMBL3176573

C[C@@H](O[C@H]1CC[C@@H]2CNC[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

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 1.00
CYP3A4 P08684 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TACR2 P21452 1/20 0.60
TACR3 P29371 1/20 0.60
CYP2C19 P33261 1/20 0.60
KCNH2 Q12809 1/20 0.58

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
SCHEMBL4985872 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL12646290 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL4985877 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL12902066 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL4991602 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3264264 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL14361057 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3172961 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3167448 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9
SCHEMBL3167453 1.00 TACR1 (1.00) TACR1CYP3A4CYP2C8CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2019-05-07 US disclosed
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2019-05-07 US disclosed
US-9737508-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2017-08-22 US disclosed
US-9707209-B2 2017-07-18 US disclosed
US-20170065558-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2017-03-09 US disclosed
US-9486439-B2 Use of NK-1 receptor antagonist serlopitant in pruritus MENLO THERAPEUTICS INC. (US) 2016-11-08 US disclosed
US-9474741-B2 Use of NK-1 receptor antagonists in pruritus MENLO THERAPEUTICS INC. (US) 2016-10-25 US disclosed
US-20160279100-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2016-09-29 US disclosed
US-9381188-B2 Use of NK-1 receptor antagonists in pruritus Tigercat Pharma, Inc. (US) 2016-07-05 US disclosed
US-20160143882-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS VYNE THERAPEUTICS INC. (F/K/A MENLO THERAPEUTICS INC. AND SUCCESSOR-IN-INTEREST TO VYNE PHARMACEUTICALS LTD., F/K/A FOAMIX PHARMACEUTICALS LTD.) 2016-05-26 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-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists MERCK SHARP & DOHME CORP. 2007-01-18 US disclosed
WO-2007008564-A1 PROCESS FOR MAKING HYDROISOINDOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-01-18 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 (8 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 1/4885CYP3A4 3228/4885CYP2C8 3154/4885
US-10278952-B2 Use of NK-1 receptor antagonists in pruritus TACR1, CYSLTR1, HRH3 TACR1 1/4885CYP3A4 774/4885CYP2C8 1404/4885
US-20070161695-A1 Hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885CYP3A4 3228/4885CYP2C8 3154/4885
US-20170065558-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 TACR1 1/4885CYP3A4 774/4885CYP2C8 1404/4885
US-20160143882-A1 USE OF NK-1 RECEPTOR ANTAGONIST SERLOPITANT IN PRURITUS TACR1, CYSLTR1, NPSR1 TACR1 1/4885CYP3A4 849/4885CYP2C8 1425/4885
US-20160279100-A1 USE OF NK-1 RECEPTOR ANTAGONISTS IN PRURITUS TACR1, CYSLTR1, HRH3 TACR1 1/4885CYP3A4 774/4885CYP2C8 1404/4885
US-20070015923-A1 Process for making hydroisoindoline tachykinin receptor antagonists TACR1, TACR2, NPSR1 TACR1 1/4885CYP3A4 2681/4885CYP2C8 3095/4885
US-10278953-B2 Use of NK-1 receptor antagonist serlopitant in pruritus TACR1, CYSLTR1, NPSR1 TACR1 1/4885CYP3A4 849/4885CYP2C8 1425/4885

“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.