SCHEMBL334424

SCHEMBL334424

CC(=O)N[C@H]([C]=O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 5/20 0.57
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
LMNA P02545 1/20 0.51
CTSC P53634 4/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PAM P19021 1/20 0.50
ACACB O00763 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
TACR1 P25103 1/20 0.46

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
SCHEMBL2843211 1.00 CTRB1 (0.57) CTRB1CTSSCTSKLMNACTSC
SCHEMBL334301 1.00 CTRB1 (0.57) CTRB1CTSSCTSKLMNACTSC
SCHEMBL6660650 0.88 CTSS (0.64) CTRB1CTSSCTSKCTSCPAM
SCHEMBL6660641 0.88 CTSS (0.64) CTRB1CTSSCTSKCTSCPAM
SCHEMBL10403423 0.85 CTRB1 (0.55) CTRB1CTSSCTSKLMNACTSC
SCHEMBL1006838 0.85 ESR1 (0.47) ACACBSLC7A5
SCHEMBL1007574 0.85 ESR1 (0.47) ACACBSLC7A5
SCHEMBL5564477 0.85 CTSC (0.70) CTRB1CTSSCTSKCTSC
SCHEMBL5564472 0.85 CTSC (0.70) CTRB1CTSSCTSKCTSC
SCHEMBL852450 0.85 ESR1 (0.47) ACACBSLC7A5

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 56 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-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections NEOBIOTICS AB (SE) 2008-10-16 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
EP-1089765-A2 $i(IN VIVO) DETERMINATION OF METABOLIC FUNCTION FOR USE IN THERAPY MANAGEMENT Phenome Sciences Inc. (US) 2001-04-11 EP claimed
WO-2000000636-A2 IN VIVO DETERMINATION OF METABOLIC FUNCTION FOR USE IN THERAPY MANAGEMENT PHENOME SCIENCES INC. (US) 2000-01-06 WO claimed
EP-0564588-B1 HEXAPEPTIDE ANAPHYLATOXIN-RECEPTOR LIGANDS ABBOTT LAB (US) 1997-02-12 EP 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
US-9481709-B2 Boropeptide inhibitors of enteropeptidase and their uses in treatment of obesity, overweight and/or diseases associated with an abnormal fat metabolism OBE THERAPY BIOTECHNOLOGY (FR) 2016-11-01 US disclosed
US-9206466-B2 Compositions and methods for regulating peptidyltransferase activity and uses thereof UNIVERSITY OF MARYLAND (US) 2015-12-08 US disclosed
US-20140187479-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM OBE THERAPY BIOTECHNOLOGY (FR) 2014-07-03 US disclosed
WO-2014066082-A1 BLOCKING ACTIVITIES OF E6AP LIGASE HAAS ARTHUR L (US) 2014-05-01 WO disclosed
WO-1989007450-A1 LHRH ANALOGS ABBOTT LABORATORIES (US) 1989-08-24 WO disclosed
EP-0328090-A2 LHRH analogs ABBOTT LABORATORIES (US) 1989-08-16 EP disclosed
EP-0300001-A1 AMINOLUCIFERINES, PROCESS FOR PRODUCING SAME AND USE THEREOF. GEIGER REINHARD DR (DE) 1989-01-25 EP disclosed
WO-1988005434-A1 AMINOLUCIFERINES, PROCESS FOR PRODUCING SAME AND USE THEREOF GEIGER REINHARD (DE) 1988-07-28 WO disclosed
US-4362818-A MILK COAGULATION MILES LABORATORIES, INC. (US) 1982-12-07 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 (4 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-20080255055-A1 Use of Derivatives of Dipeptides for the Manufacture of of a Medicament for the Treamtent of Microbial Infections VIP, ARG1, PEPD CTRB1 677/4885CTSS 1065/4885CTSK 1506/4885
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 CTRB1 2031/4885CTSS 659/4885CTSK 585/4885
US-20140187479-A1 BOROPEPTIDE INHIBITORS OF ENTEROPEPTIDASE AND THEIR USES IN TREATMENT OF OBESITY, OVERWEIGHT AND/OR DISEASES ASSOCIATED WITH AN ABNORMAL FAT METABOLISM TMPRSS15, PCSK9, FABP4 CTRB1 127/4885CTSS 1134/4885CTSK 910/4885
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 CTRB1 2031/4885CTSS 659/4885CTSK 585/4885

“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.