SCHEMBL7025513

SCHEMBL7025513

C[C@@H](OC1OCCNC1c1ccccc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 8/20 0.48
SLC6A2 P23975 5/20 0.40
SLC6A3 Q01959 4/20 0.40
ADRA1A P35348 1/20 0.40
HTR2B P41595 1/20 0.40
SLC6A4 P31645 4/20 0.38
HRH1 P35367 2/20 0.38
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7025517 1.00 TACR1 (0.48) TACR1SLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL7027513 0.95 TACR1 (0.46) TACR1SLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL7022578 0.94 TACR1 (0.40) TACR1SLC6A2SLC6A4
SCHEMBL7019767 0.91 TACR1 (0.50) TACR1SLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL7019769 0.91 TACR1 (0.50) TACR1SLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL7023510 0.89 TACR1 (0.50) TACR1SLC6A2SLC6A3ADRA1AHTR2B
SCHEMBL7028701 0.87 TACR1 (0.48) TACR1SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL7028706 0.87 TACR1 (0.48) TACR1SLC6A2SLC6A3SLC6A4HRH1
SCHEMBL7022722 0.85 TACR1 (0.41) TACR1
SCHEMBL7021222 0.85 TACR1 (0.47) TACR1SLC6A2SLC6A3ADRA1AHTR2B

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 25 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
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 EP claimed
EP-0734381-A1 MORPHOLINE AND THIOMORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-10-02 EP 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-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
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

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 23/4885SLC6A2 1902/4885SLC6A3 2348/4885

“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.