SCHEMBL4428892

SCHEMBL4428892

Fc1ccc([C@H]2[C@@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)OCCN2Cc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 20/20 0.70
TACR3 P29371 2/20 0.66
TACR2 P21452 1/20 0.66
NR3C1 P04150 1/20 0.51
CYP3A4 P08684 1/20 0.51
FPR1 P21462 1/20 0.51
GPR183 P32249 1/20 0.51
OPRD1 P41143 1/20 0.51
GPR65 Q8IYL9 1/20 0.51
GPR35 Q9HC97 1/20 0.51

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
SCHEMBL8350518 1.00 TACR1 (0.70) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL7026820 1.00 TACR1 (0.70) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL8353379 0.96 TACR1 (0.66) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL8353376 0.96 TACR1 (0.66) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL7022339 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL264224 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL264225 0.94 TACR1 (0.76) TACR1TACR3TACR2
SCHEMBL265029 0.90 TACR1 (0.59) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL265028 0.90 TACR1 (0.59) TACR1TACR3TACR2NR3C1CYP3A4
SCHEMBL8151210 0.86 TACR1 (0.53) TACR1TACR3TACR2NR3C1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO., INC. 2002-01-03 US claimed
US-6048859-A ANTIEMETIC AGENT MERCK & CO., INC. (US) 2000-04-11 US claimed
EP-0577394-B1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1999-11-10 EP claimed
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP claimed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO claimed
WO-1994000440-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-01-06 WO claimed
EP-0577394-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO. INC. (US) 1994-01-05 EP claimed
WO-2009116081-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF APREPITANT MSN LABORATORIES LIMITED (IN) 2009-09-24 WO disclosed
US-6638930-B2 Antiinflammatory agents, analgesics, antiasthmatics, antiemitics and calcium channel blockers for angina, hypertension or ischemia MERCK & CO. INC. 2003-10-28 US disclosed
EP-0748320-B1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2002-11-13 EP disclosed
US-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO., INC. 2002-01-03 US disclosed
US-6235735-B1 AFTERTREATMENT OF RADIATION THERAPY MERCK & CO., INC. 2001-05-22 US disclosed
EP-0734381-B1 MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-07-05 EP disclosed
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP disclosed
EP-0734381-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-10-02 EP disclosed
US-5512570-A Treatment of emesis with morpholine tachykinin receptor antagonists MERCK & CO., INC. (US) 1996-04-30 US disclosed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO disclosed
WO-1995016679-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-22 WO disclosed
WO-1994000440-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-01-06 WO disclosed
EP-0577394-A1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO. INC. (US) 1994-01-05 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 (1 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-20020002164-A1 Morpholine and thiomorpholine tachykinin receptor antagonists TRPM7, TRPM2, TRPM5 TACR1 23/4885TACR3 46/4885TACR2 20/4885

“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.