SCHEMBL5496016

SCHEMBL5496016

CC(C(=O)O)C1CCCCN1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.49
SLC6A2 P23975 8/20 0.49
SLC6A4 P31645 6/20 0.49
DHFR P00374 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25859924 1.00 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5525427 0.98 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5502385 0.94 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL5765094 0.94 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL336871 0.92 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL11119178 0.87
SCHEMBL19124798 0.82 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL11737778 0.81 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL27353662 0.79 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL6879567 0.79 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5308861-A Tetrapyrole compounds NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1994-05-03 US claimed
WO-2018021977-A1 GLYCINE METABOLISM MODULATORS AND USES THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-02-01 WO disclosed
US-20070238721-A1 Highly Selective Novel Amidation Method TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-11 US disclosed
EP-1753752-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD Takeda Pharmaceutical Company Limited (JP) 2007-02-21 EP disclosed
EP-1084710-B1 ADENOSINE A1 ANTAGONISTS FOR MALE STERILITY ASTELLAS PHARMA INC (JP) 2006-10-18 EP disclosed
WO-2005121133-A1 HIGHLY SELECTIVE NOVEL AMIDATION METHOD TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-12-22 WO disclosed
EP-1467760-A2 SYSTEMS AND METHODS FOR PHOTODYNAMIC THERAPY Light Sciences Corporation (US) 2004-10-20 EP disclosed
US-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-08-05 US disclosed
US-20030167033-A1 Systems and methods for photodynamic therapy LIGHT SCIENCES CORPORATION 2003-09-04 US disclosed
WO-2003061696-A2 SYSTEMS AND METHODS FOR PHOTODYNAMIC THERAPY LIGHT SCIENCES CORPORATION (US) 2003-07-31 WO disclosed
EP-0213272-B1 NEW TETRAPYRROLE POLYAMINOMONOCARBOXYLIC ACID THERAPEUTIC AGENTS Nippon Petrochemicals Co., Ltd. (JP) 1992-09-09 EP disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0200218-B1 TETRAPYRROLE THERAPEUTIC AGENTS Nippon Petrochemicals Co., Ltd. (JP) 1992-01-22 EP disclosed
US-4997639-A Porphyrins NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1991-03-05 US disclosed
US-4977177-A DETECTION AND TREATMENT OF TUMORS NIPPON PETROCHEMICALS COMPANY, LTD. (JP) 1990-12-11 US disclosed
US-4656186-A FLUORESCENCE NIPPON PETROCHEMICALS CO., LTD. (JP) 1987-04-07 US disclosed
EP-0213272-A2 New tetrapyrrole polyaminomonocarboxylic acid therapeutic agents Nippon Petrochemicals Co., Ltd. (JP) 1987-03-11 EP disclosed
EP-0200218-A2 Tetrapyrrole therapeutic agents Nippon Petrochemicals Co., Ltd. (JP) 1986-11-05 EP disclosed
US-4217238-A BASIC SALT, SCRUBBING EXXON RESEARCH & ENGINEERING CO. (US) 1980-08-12 US disclosed
US-4094957-A CARBON DIOXIDE EXXON RESEARCH & ENGINEERING CO. (US) 1978-06-13 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 (2 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-20040152659-A1 Method for the treatment of parkinson's disease comprising administering an A1A2a receptor dual antagonist ADORA2A, ADORA1, ADORA2B SLC6A3 81/4885SLC6A2 45/4885SLC6A4 259/4885
US-20070238721-A1 Highly Selective Novel Amidation Method NAAA, CPS1, COASY SLC6A3 4741/4885SLC6A2 4647/4885SLC6A4 4405/4885

“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.