SCHEMBL7028653

SCHEMBL7028653

C[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.45
TACR1 P25103 7/20 0.41
SLC6A4 P31645 6/20 0.40
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 4/20 0.40
HRH1 P35367 2/20 0.39
SCN9A Q15858 2/20 0.38
NR3C1 P04150 1/20 0.36
CYP3A4 P08684 1/20 0.36
FPR1 P21462 1/20 0.36
TACR3 P29371 1/20 0.36
GPR183 P32249 1/20 0.36
OPRD1 P41143 1/20 0.36
GPR65 Q8IYL9 1/20 0.36
GPR35 Q9HC97 1/20 0.36
HTR2C P28335 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
SCHEMBL7028701 0.93 TACR1 (0.48) HTR6TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7028706 0.93 TACR1 (0.48) HTR6TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7025501 0.91 TACR1 (0.40) HTR6TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7032561 0.90 TACR1 (0.39) HTR6TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7022222 0.90 HTR6 (0.43) HTR6TACR1SLC6A4SLC6A2SLC6A3
SCHEMBL7022722 0.90 TACR1 (0.41) TACR1SCN9ANR3C1CYP3A4FPR1
SCHEMBL7027513 0.90 TACR1 (0.46) TACR1SLC6A4SLC6A2SLC6A3HRH1
SCHEMBL7027535 0.88 TACR1 (0.40) HTR6TACR1SLC6A4SLC6A2HRH1
SCHEMBL7027770 0.88 TACR1 (0.42) TACR1SCN9ANR3C1CYP3A4FPR1
SCHEMBL7823807 0.88 TACR1 (0.49) TACR1SLC6A4NR3C1CYP3A4FPR1

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 21 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
EP-0734381-B1 MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2000-07-05 EP claimed
US-6048859-A ANTIEMETIC AGENT MERCK & CO., INC. (US) 2000-04-11 US claimed
WO-1995023798-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-09-08 WO claimed
WO-1995016679-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-22 WO claimed
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
US-6048859-A ANTIEMETIC AGENT MERCK & CO., INC. (US) 2000-04-11 US disclosed
US-5922706-A TREATING INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS, AND CALCIUM CHANNEL BLOCKERS USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISORDERS SUCH AS ANGINA, HYPERTENSION OR ISCHEMIA MERCK & CO., INC. (US) 1999-07-13 US disclosed
US-5780467-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES, PAIN OR MIGRAINE, ASTHMA AND EMESIS MERCK & CO., INC. (US) 1998-07-14 US disclosed
US-5719147-A Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO., INC. (US) 1998-02-17 US disclosed
US-5716942-A ADMINISTERING TO ANTAGONIZE EFFECT OF SUBSTANCE P AT RECEPTOR SITE, BLOCKADE NEUROKININ-1 RECEPTORS MERCK & CO., INC. (US) 1998-02-10 US disclosed
US-5691336-A ANTIINFLAMMATORY AGENTS; ANALGESICS; THERAPY OF ASTHMA, EMESIS MERCK & CO., INC. (US) 1997-11-25 US disclosed
US-5637699-A CARDIOVASCULAR DISORDERS; ANTIINFLAMMATORY AGENT MERCK & CO., INC. (US) 1997-06-10 US 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

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 HTR6 243/4885TACR1 23/4885SLC6A4 885/4885

“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.