SCHEMBL7018874

SCHEMBL7018874

O=C1OCCN(Cc2ccccc2)[C@@H]1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
FAAH O00519 1/20 0.42
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
MDM2 Q00987 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL265268 1.00 RORC (0.47) RORCMAPTTHRBFAAHTP53
SCHEMBL265267 1.00 RORC (0.47) RORCMAPTTHRBFAAHTP53
SCHEMBL5226630 0.90 RORC (0.52) RORCMAPTTHRBTP53LMNA
SCHEMBL264850 0.90 RORC (0.52) RORCMAPTTHRBTP53LMNA
SCHEMBL2789725 0.90 RORC (0.52) RORCMAPTTHRBTP53LMNA
Hydrochloric Acid SCHEMBL5258121 0.89 RORC (0.51) RORCMAPTTHRBTP53LMNA
Hydrochloric Acid SCHEMBL3457382 0.89 RORC (0.51) RORCMAPTTHRBTP53LMNA
SCHEMBL22570215 0.74 RORC (0.48) RORCTP53LMNAMDM2HPGD
SCHEMBL28079605 0.74 RORC (0.48) RORCTP53LMNAMDM2HPGD
SCHEMBL5132529 0.73 MEN1 (0.46) MAPTTHRBALDH1A1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-1075812-C Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 2001-12-05 CN disclosed
US-6235735-B1 AFTERTREATMENT OF RADIATION THERAPY MERCK & CO., INC. 2001-05-22 US disclosed
CN-1057296-C Morpholine tachykinin receptor antagonists, their preparation and use MERCK & CO INC (US) 2000-10-11 CN 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
CN-1049431-C Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 2000-02-16 CN disclosed
EP-0577394-B1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1999-11-10 EP disclosed
CN-1147254-A Prodrugs of morpholine tachykinin receptor antagonists MERCK & CO INC (US) 1997-04-09 CN disclosed
CN-1142819-A Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1997-02-12 CN 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
CN-1087902-A Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1994-06-15 CN 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 RORC 2778/4885MAPT 1058/4885THRB 218/4885

“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.