Dapitant

Dapitant

SCHEMBL6908668

COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@@H](C1)[C@](O)(c1ccccc1OC)CCC2(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 1.00
FNTA P49354 6/20 0.42
FNTB P49356 6/20 0.42
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39
OPRK1 P41145 3/20 0.39
OPRL1 P41146 3/20 0.39
CHRM4 P08173 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
Dapitant SCHEMBL6437147 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL14071561 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL121135 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL7582571 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL13575759 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL30695498 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL7768046 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
Dapitant SCHEMBL8543936 1.00 TACR1 (1.00) TACR1FNTAFNTBMEN1CYP3A4
SCHEMBL8543712 0.94 TACR1 (0.89) TACR1FNTAFNTBMEN1CYP3A4
SCHEMBL8956844 0.94 TACR1 (0.89) TACR1FNTAFNTBMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912174-B1 ALTERATION OF CIRCADIAN RHYTHMICITY WITH NON-PEPTIDAL NEURIKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2004-04-28 EP claimed
US-20020035059-A1 Prevention or treatment of insomina with a neurokinin-1 receptor antagonist MERCK & CO., INC. 2002-03-21 US claimed
EP-0912174-A4 ALTERATION OF CIRCADIAN RHYTHMICITY WITH A TACHYKININ ANTAGONIST MERCK & CO INC (US) 2000-12-06 EP claimed
JP-2000514455-A 2000-10-31 JP claimed
EP-0912174-A1 ALTERATION OF CIRCADIAN RHYTHMICITY WITH A TACHYKININ ANTAGONIST Merck & Co., Inc. (US) 1999-05-06 EP claimed
WO-1998002158-A1 ALTERATION OF CIRCADIAN RHYTHMICITY WITH A TACHYKININ ANTAGONIST MERCK & CO., INC. (US) 1998-01-22 WO claimed
EP-0912174-B1 ALTERATION OF CIRCADIAN RHYTHMICITY WITH NON-PEPTIDAL NEURIKININ-1 RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2004-04-28 EP disclosed
US-20030215456-A1 Method of treating cancer YAO SUI-LONG (US) 2003-11-20 US disclosed
US-6573261-B2 Administering a tachykinin receptor antagonist MERCK & CO., INC. 2003-06-03 US disclosed
US-6525073-B2 For achieving circadian rhythm phase-shifting effect in mammal MERCK & CO. INC. 2003-02-25 US disclosed
US-20020142942-A1 Method for treating premenstrual or late luteal phase syndrome MERCK & CO. INC. 2002-10-03 US disclosed
US-20010029244-A1 Method for treating or preventing psychosomatic and psychoimmunologic disorders MERCK & CO., INC. 2001-10-11 US disclosed
US-6232311-B1 ADMINISTERING AN ORALLY ACTIVE, LONG ACTING, CENTRAL NERVOUS SYSTEM-PENETRANT TACHYKININ RECEPTOR PARTICULARLY NEUROKININ-1 RECEPTOR ANTAGONIST MERCK & CO., INC. 2001-05-15 US disclosed
EP-0912174-A4 ALTERATION OF CIRCADIAN RHYTHMICITY WITH A TACHYKININ ANTAGONIST MERCK & CO INC (US) 2000-12-06 EP disclosed
US-6140324-A ADMINISTERING TACHYKININ ANTAGONIST AND MUSCARINIC ANTAGONIST AND/OR ANTIHISTAMINE, SUCH THAT THEY GIVE EFFECTIVE RELIEF FROM MOTION SICKNESS MERCK SHARP & DOHME LTD. (GB) 2000-10-31 US disclosed
US-6121261-A ADMINISTERING DOSAGE OF A CENTRAL NERVOUS SYTEM-PENETRATING SELECTIVE NEUROKININ-1 RECEPTOR ANTAGONIST TO PATIENT MERCK & CO., INC. (US) 2000-09-19 US disclosed
US-5981526-A SYNERGISTIC TREATMENT OR PREVENTION OF MIGRAINE MERCK SHARP & DOHME LTD. (GB) 1999-11-09 US disclosed
EP-0912174-A1 ALTERATION OF CIRCADIAN RHYTHMICITY WITH A TACHYKININ ANTAGONIST Merck & Co., Inc. (US) 1999-05-06 EP disclosed
WO-1998002158-A1 ALTERATION OF CIRCADIAN RHYTHMICITY WITH A TACHYKININ ANTAGONIST MERCK & CO., INC. (US) 1998-01-22 WO disclosed
US-5484804-A Perhydroisoindole derivatives as antagonists of substance P RHONE-POULENC RORER S.A. (FR) 1996-01-16 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-20010029244-A1 Method for treating or preventing psychosomatic and psychoimmunologic disorders NPSR1, TACR2, NTSR2 TACR1 7/4885FNTA 3576/4885FNTB 3688/4885
US-20020035059-A1 Prevention or treatment of insomina with a neurokinin-1 receptor antagonist MTNR1A, PROKR1, NTSR2 TACR1 45/4885FNTA 4439/4885FNTB 4505/4885
US-20020142942-A1 Method for treating premenstrual or late luteal phase syndrome GNRHR, KISS1R, NPSR1 TACR1 33/4885FNTA 4723/4885FNTB 4851/4885
US-20030215456-A1 Method of treating cancer TACR1, TACR2, KLK3 TACR1 1/4885FNTA 2302/4885FNTB 3220/4885

“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.