SCHEMBL4457615

SCHEMBL4457615

CNCCC1CNCCO1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.39
SLC6A3 Q01959 9/20 0.39
SLC6A4 P31645 7/20 0.39
HTR2A P28223 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
ADRA2C P18825 1/20 0.39
BRD4 O60885 4/20 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
Hydrochloric Acid SCHEMBL10511614 0.98 SLC6A2 (0.38) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL7509608 0.86 SIGMAR1 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL8560534 0.86 SIGMAR1 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL10511691 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL1746181 0.81 SLC6A2 (0.42) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL29291192 0.81 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL5323661 0.81 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL28080594 0.81 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL20997961 0.80 SLC6A4 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL13762256 0.80 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119059961-A Cyclic fatty polyamine compound, preparation method and application thereof, and cyclic fatty polyamine combined solution 大连理工大学 2024-12-03 CN disclosed
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION 2022-12-29 US disclosed
CN-110691784-A Compounds that inhibit MCL-1 protein 美国安进公司 2020-01-14 CN disclosed
CN-109996824-A One-component moisture-curable polyurethane composition 横滨橡胶株式会社 2019-07-09 CN disclosed
CN-108604073-A Conductive roll and its manufacturing method 株式会社普利司通 2018-09-28 CN disclosed
CN-104968656-B autotaxin inhibitors 诺华股份有限公司 2017-08-11 CN disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2044056-B1 PYRIMIDINE DERIVATIVES AS ALK-5 INHIBITORS NOVARTIS AG (CH) 2012-08-22 EP disclosed
US-7989458-B2 Pyrimidine derivatives as alk-5 inhibitors NOVARTIS AG (CH) 2011-08-02 US disclosed
EP-1781743-A1 WATER-SOLUBLE PRODUCTS HARDENING WITH RADIATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2007-05-09 EP disclosed
CN-1759110-A Pyrazole derivatives DAIICHI SEIYAKU CO (JP) 2006-04-12 CN disclosed
WO-2006018136-A1 WATER-SOLUBLE PRODUCTS HARDENING WITH RADIATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-02-23 WO disclosed
WO-2006018152-A1 WATER-SOLUBLE, RADIATION-CURABLE PRODUCTS AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-02-23 WO disclosed
EP-1599519-A1 METHOD FOR PRODUCING AQUEOUS POLYURETHANE DISPERSIONS IN MINIEMULSION AND IN THE PRESENCE OF A CATALYST BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP disclosed
WO-2004076516-A1 METHOD FOR PRODUCING AQUEOUS POLYURETHANE DISPERSIONS IN MINIEMULSION AND IN THE PRESENCE OF A CATALYST BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO disclosed
US-5714470-A PENTAFLUORO ALKYL TERMINATED PEPTIDE DERIVATIVES; TREATMENT OF INFLAMMATORY DISEASES, EMPHYSEMA AND CHRONIC BRONCHITIS MERRELL PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
US-5693619-A ENZYME INHIBITORS; ADMINISTERED TO TREAT CONGESTIVE HEART FAILURE AND HYPERTENSION BOEHRINGER INGELHEIM (CANADA), LTD. (CA) 1997-12-02 US disclosed
US-4889857-A BACTERICIDES; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0311948-A2 Quinolonecarboxylic acid compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-19 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 (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-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 SLC6A2 91/4885SLC6A3 100/4885SLC6A4 80/4885
US-20220411402-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CYP3A7, CYP3A4, CYP3A43 SLC6A2 158/4885SLC6A3 93/4885SLC6A4 74/4885

“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.