SCHEMBL2265778

SCHEMBL2265778

COc1ccc(C[C@@H](N)[C]=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.61
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
LDHA P00338 1/20 0.53
POLB P06746 1/20 0.46
IDO1 P14902 3/20 0.46
AGXT P21549 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
AOC3 Q16853 2/20 0.44
F2RL1 P55085 1/20 0.43
ACACB O00763 1/20 0.43

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
SCHEMBL2265781 1.00 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7294911 1.00 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL9630894 0.82 NQO1 (0.48) ACACB
SCHEMBL9499665 0.82 NQO1 (0.48) ACACB
SCHEMBL9630902 0.82 NQO1 (0.48) ACACB
SCHEMBL26922534 0.81 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL8693993 0.81 LDHA (0.56) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL10384433 0.81 ACACB (0.47) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7020048 0.81 ACACB (0.47) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7020330 0.81 ACACB (0.47) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS VOYAGER PHARMACEUTICAL CORPORATION (US) 2011-08-11 US claimed
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists VOYAGER PHARMACEUTICAL CORPORATION 2008-07-17 US claimed
US-5140009-A Stable against proteolytic enzymes; anticarcinogenic agents; urogenital disorders TAP PHARMACEUTICALS, INC. (US) 1992-08-18 US claimed
EP-0400065-A4 LHRH ANALOGS 1991-03-13 EP claimed
EP-0413209-A1 LHRH analogs TAP Pharmaceuticals Inc. (US) 1991-02-20 EP claimed
EP-0400065-A1 LHRH ANALOGS. ABBOTT LAB (US) 1990-12-05 EP claimed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO claimed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP claimed
EP-0127899-B1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH The Administrators of The Tulane University Educational Fund (US) 1987-10-21 EP claimed
EP-0188214-A2 Novel growth hormone-releasing peptides and method of treating mammals therewith The Administrators of The Tulane University Educational Fund (US) 1986-07-23 EP claimed
EP-0145768-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY, David Howard (US) 1985-06-26 EP claimed
WO-1984004916-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY DAVID HOWARD (US) 1984-12-20 WO claimed
EP-0127899-A1 Cyclic pentapeptides displaying somatostatin antagonism and method of treatment of mammals therewith The Administrators of The Tulane University Educational Fund (US) 1984-12-12 EP claimed
US-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS VOYAGER PHARMACEUTICAL CORPORATION (US) 2011-08-11 US disclosed
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists VOYAGER PHARMACEUTICAL CORPORATION 2008-07-17 US disclosed
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials ABBOTT LABORATORIES 2002-04-25 US disclosed
WO-1984004916-A1 CYCLIC PENTAPEPTIDES DISPLAYING SOMATOSTATIN ANTAGONISM AND METHOD OF TREATMENT OF MAMMALS THEREWITH COY DAVID HOWARD (US) 1984-12-20 WO disclosed
EP-0127899-A1 Cyclic pentapeptides displaying somatostatin antagonism and method of treatment of mammals therewith The Administrators of The Tulane University Educational Fund (US) 1984-12-12 EP disclosed
US-4111923-A LUTEINIZING HORMONE RELEASING FACTOR ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1978-09-05 US disclosed
US-4086219-A LUTEINIZING HORMONE RELEASING FACTOR ANTAGONISTS PARKE, DAVIS & COMPANY (US) 1978-04-25 US 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 (3 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-20110195898-A1 TREATMENT OF ALZHEIMER'S DISEASE AND MILD COGNITIVE IMPAIRMENT USING GNRH-I ANALOGS AND ONE OR MORE OF ACETYLCHOLINESTERASE INHIBITORS AND NMDA RECEPTOR ANTAGONISTS GNRHR, GRIN1, GRIN3A SLC6A4 1207/4885CYP1A2 3674/4885CYP2D6 4094/4885
US-20080171736-A1 Treatment of Alzheimer's Disease and Mild Cognitive impairment using GnRH-I analogs and one or more of acetylcholinesterase inhibitors and NMDA receptor antagonists GNRHR, GRIN1, GRIN3A SLC6A4 1207/4885CYP1A2 3674/4885CYP2D6 4094/4885
US-20020049223-A1 Quinoline and naphthyridine carboxylic acid antibacterials NQO2, NQO1, NDUFA7 SLC6A4 2070/4885CYP1A2 55/4885CYP2D6 51/4885

“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.