SCHEMBL4878097

SCHEMBL4878097

O=C(O)c1ccccc1C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.53
SLC6A2 P23975 6/20 0.50
SLC6A4 P31645 6/20 0.50
SLC6A3 Q01959 6/20 0.50
HTR1A P08908 4/20 0.50
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
IKBKB O14920 1/20 0.45
CHUK O15111 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C9 P11712 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CYP2D6 P10635 1/20 0.44
KCNH2 Q12809 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
SCHEMBL1663055 0.90 JAK3 (0.49) HTR2CSLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL30776200 0.90 JAK3 (0.49) HTR2CSLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL4213803 0.90 JAK3 (0.49) HTR2CSLC6A2SLC6A4SLC6A3SLC18A3
SCHEMBL28086725 0.87 HTR2C (0.59) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL4109572 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15CYP2C9CYP2D6
SCHEMBL10457353 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15CYP2C9CYP2D6
SCHEMBL30175300 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15CYP2C9CYP2D6
Hydrochloric Acid SCHEMBL29705669 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15CYP2C9CYP2D6
SCHEMBL7670262 0.84 HTR2C (0.56) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL1006493 0.84 IKBKB (0.53) HTR2CSLC6A2SLC6A4SLC6A3HTR1A

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
EP-0157472-B1 PROCESS FOR POLYMERIZATION OF OLEFINS TOA NENRYO KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP claimed
CN-117597345-A Heterocyclic derivatives as CaMKK2 inhibitors 百时美施贵宝公司 2024-02-23 CN disclosed
EP-3567041-B1 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF IMPACT THERAPEUTICS SHANGHAI INC (CN) 2023-12-27 EP disclosed
EP-3998260-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2023-11-01 EP disclosed
CN-109369635-B Compound or pharmaceutically acceptable salt thereof, application thereof and pharmaceutical composition 赛克里翁治疗有限公司 2023-06-30 CN disclosed
US-20230106002-A1 sGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. 2023-04-06 US disclosed
CN-107408593-B Wiring sheet, structure, and photovoltaic module 三井-陶氏聚合化学株式会社 2022-10-14 CN disclosed
EP-3998260-A1 SGC STIMULATORS Cyclerion Therapeutics, Inc. (US) 2022-05-18 EP disclosed
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 EP disclosed
EP-3660013-B1 SGC STIMULATORS CYCLERION THERAPEUTICS INC (US) 2022-01-19 EP disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
US-7700591-B2 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors MERCK & CO., INC. (US) 2010-04-20 US disclosed
EP-1615699-B1 BENZOXAZINYL-AMIDOCYCLOPENTYL-HETEROCYCLIC MODULATORS OF CHEMOKINE RECEPTORS MERCK SHARP & DOHME (US) 2010-03-24 EP disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone ABBVIE INC. 2008-07-24 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors GOBLE STEPHEN D 2007-10-11 US disclosed
US-4921962-A REACTION OF AMINE WITH HYDROPEROXIDE CIBA-GEIGY CORPORATION (US) 1990-05-01 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-20230106002-A1 sGC STIMULATORS PTGIS, CGAS, GUCY1A1 HTR2C 1813/4885SLC6A2 3613/4885SLC6A4 4151/4885
US-20080176883-A1 Antiinflammtory, antiproliferative, anticancer agents; (3-Hydroxy-pyrrolidin-1-yl)-(3-trifluoromethyl-7,8-dihydro-5H-[1,6]naphthyridin-6-yl)-methanone MIF, CCL5, CCR2 HTR2C 855/4885SLC6A2 3761/4885SLC6A4 3027/4885
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 HTR2C 3005/4885SLC6A2 536/4885SLC6A4 612/4885
US-20070238723-A1 Benzoxazinyl-amidocyclopentyl-heterocyclic modulators of chemokine receptors CCR1, CCR2, CCRL2 HTR2C 306/4885SLC6A2 4644/4885SLC6A4 4518/4885

“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.