SCHEMBL7022745

SCHEMBL7022745

CON(C(=O)CN(C)C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.39
CTSB P07858 2/20 0.39
CTSS P25774 2/20 0.39
GBA1 P04062 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RAB9A P51151 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKT1 P31749 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
POLQ O75417 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRD4 O60885 1/20 0.35
PDK2 Q15119 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9035750 0.89 CTSL (0.39) CTSLCTSBCTSSGBA1HTR2C
SCHEMBL25866708 0.82 MEN1 (0.40) MEN1KMT2ARAB9ANPSR1AKT1
SCHEMBL7594928 0.76 CTSL (0.58) CTSLCTSBCTSSHTR2CSLC6A4
SCHEMBL9358204 0.75 LTB4R (0.49) CTSLCTSBCTSSHTR2CSLC6A4
SCHEMBL15973703 0.75 ALDH1A1 (0.46) CTSLCTSBCTSSGBA1HTR2C
SCHEMBL29024419 0.75 TP53 (0.42) MEN1KMT2ARAB9ANPSR1AKT1
SCHEMBL7174230 0.74 HDAC6 (0.37) CTSLCTSBCTSS
SCHEMBL4764555 0.74 GBA1 (0.51) CTSLCTSBCTSSGBA1HTR2C
SCHEMBL4664640 0.72 SMN1; SMN2 (0.45) CTSLCTSBCTSSMEN1KMT2A
SCHEMBL16561966 0.72 HTR2C (0.45) CTSLCTSBCTSSHTR2CSLC6A4

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
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
EP-0577394-B1 Morpholine and thiomorpholine tachykinin receptor antagonists MERCK & CO INC (US) 1999-11-10 EP 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-5872116-A TREATMENT OF INFLAMATION, PAIN, MIGRAINE, ASTHMA AND EMESIS MERCK & CO., INC. (US) 1999-02-16 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
EP-0748320-A1 PRODRUGS OF MORPHOLINE TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1996-12-18 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 CTSL 889/4885CTSB 1276/4885CTSS 1448/4885

“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.