SCHEMBL9437342

SCHEMBL9437342

CCN(CC)CC1CCNC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRB2 P47870 2/20 0.41
SLC6A12 P48065 2/20 0.41
SLC6A11 P48066 2/20 0.41
SLC6A13 Q9NSD5 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRR1 P24046 1/20 0.41
GABRA4 P48169 1/20 0.41
KCNH2 Q12809 1/20 0.38
USP30 Q70CQ3 1/20 0.36
HRH4 Q9H3N8 3/20 0.33
HRH3 Q9Y5N1 3/20 0.33
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL18505882 1.00 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL23063091 1.00 SLC6A1 (0.41) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL10507058 0.88 HRH3 (0.37) SLC6A1SLC6A11KCNH2HRH4HRH3
SCHEMBL247608 0.86 GNAO1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL6150116 0.84 GNAO1 (0.39) KCNH2GNAI3GNAO1GNAI1
SCHEMBL5649067 0.82 GNAO1 (0.36) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL22989589 0.81 CYP1A2 (0.30) KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL10562710 0.81 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL30150910 0.81 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL25960704 0.81 SLC6A1 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533913-A Novel compounds 英夫拉索姆有限公司 2021-03-19 CN disclosed
EP-3788041-A1 NOVEL COMPOUNDS Inflazome Limited (IE) 2021-03-10 EP disclosed
CN-108026085-A Fumidil alcohol heterocyclic compound and preparation and use its method 扎夫根股份有限公司 2018-05-11 CN disclosed
EP-2678349-B1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 2016-01-13 EP disclosed
US-9139609-B2 C-4″ position substituted macrolide derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-09-22 US disclosed
US-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-02-13 US disclosed
EP-2678349-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-01 EP disclosed
WO-2012115256-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-08-30 WO disclosed
US-5281612-A Naphthyridine antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-01-25 US disclosed
EP-0254955-B1 Substituted pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1992-05-27 EP disclosed
US-4971966-A BRADYCARDIAL, CARDIOVASCULAR DISORDERS KARL THOMAE GMBH (DE) 1990-11-20 US disclosed
US-4777175-A (NAPHTHYRIDINE, QUINOLINE) CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-10-11 US disclosed
US-4771054-A QUINOLINE CARBOXYLIC ACID WARNER-LAMBERT COMPANY (US) 1988-09-13 US disclosed
EP-0254955-A2 Substituted pyrido[2,3-b][1,4]benzodiazepin-6-ones, process for their preparation and medicaments containing these compounds Dr. Karl Thomae GmbH (DE) 1988-02-03 EP disclosed
US-4665079-A QUINOLINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1987-05-12 US disclosed
US-4638067-A NAPHTHYRIDINE AND QUINOLINE CARBOXYLIC ACIDS WARNER-LAMBERT CO. (US) 1987-01-20 US disclosed
EP-0153163-A2 7-Substituted-1-cyclopropyl-6,8-difluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acids; 7-substituted-1-cyclopropyl-1,4-dihydro-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acids; their derivatives; and a process for preparing the compounds WARNER-LAMBERT COMPANY (US) 1985-08-28 EP disclosed
US-4041032-A ANTIEMATICS, GASTRIC MOTILITY STIMULANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-08-09 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 (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-20140046043-A1 C-4\" POSITION SUBSTITUTED MACROLIDE DERIVATIVE MRPL21, MRPS34, MRPL37 SLC6A1 4764/4885GABRA5 4556/4885GABRB2 4004/4885

“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.