SCHEMBL69020

SCHEMBL69020

NCCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.70
CYP4A11 Q02928 1/20 0.70
MAOB P27338 7/20 0.64
TAAR1 Q96RJ0 1/20 0.61
BCHE P06276 4/20 0.60
MGLL Q99685 1/20 0.55
MAOA P21397 2/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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 SCHEMBL70370 0.98 CYP4F2 (0.68) CYP4F2CYP4A11MAOBTAAR1BCHE
SCHEMBL2206195 0.90 CYP4F2 (0.66) CYP4F2CYP4A11MAOBBCHEMGLL
SCHEMBL2655137 0.88 CYP4F2 (0.64) CYP4F2CYP4A11MAOBBCHEMGLL
SCHEMBL30207536 0.85 MAOB (0.70) CYP4F2CYP4A11MAOBBCHEMAOA
SCHEMBL538599 0.85 MAOB (0.70) CYP4F2CYP4A11MAOBBCHEMAOA
SCHEMBL7349864 0.84 MAOB (0.64) CYP4F2CYP4A11MAOBTAAR1
Hydrochloric Acid SCHEMBL538603 0.84 MAOB (0.73) CYP4F2CYP4A11MAOBBCHEMAOA
SCHEMBL69512 0.83 MAOB (0.78) MAOBTAAR1MAOA
Hydrochloric Acid SCHEMBL2568656 0.83 MAOB (0.65) MAOBTAAR1
SCHEMBL15761340 0.83 BCHE (0.70) CYP4F2CYP4A11MAOBBCHEMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY CVI PHARMACEUTICALS LIMITED (KY) 2022-12-08 US disclosed
CN-110343068-B 2-amino-2-quinolyl ethanol beta 2-receptor agonist and preparation method and application thereof 沈阳药科大学 2022-02-11 CN disclosed
CN-107531703-B Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory diseases 加拉帕戈斯股份有限公司 2020-09-01 CN disclosed
EP-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
EP-3286191-B1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2020-07-29 EP disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GALAPAGOS NV (BE) 2020-02-25 US disclosed
EP-2934594-B1 CYCLOHEXYL AND QUINUCLIDINYL CARBAMATE DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES . ALMIRALL SA (ES) 2019-09-04 EP disclosed
EP-2318126-B1 WATER PURIFICATION MEMBRANES WITH IMPROVED FOULING RESISTANCE UNIV TEXAS (US) 2018-08-22 EP disclosed
EP-3286191-A1 NOVEL DIHYDROPYRIDOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos NV (BE) 2018-02-28 EP disclosed
US-5120853-A Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-09 US disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
EP-0422328-A2 Substituted isoquinolines and their use Euro-Celtique S.A. (LU) 1991-04-17 EP disclosed
US-4968698-A FUNGICIDES, ANTIPROTOZOA AGENTS BURROUGHS WELLCOME CO. (US) 1990-11-06 US disclosed
US-4956371-A PLATELET ACTIVATING FACTOR EUROCELTIQUE, S.A. (LU) 1990-09-11 US disclosed
US-4868296-A 6-(1-carbamoyl-1-hydroxymethyl) penicillanic acid derivatives PFIZER INC. (US) 1989-09-19 US disclosed
US-4797394-A 6-(1-carbamoyl-1-hydroxymethyl)penicillanic acid derivatives PFIZER INC. (US) 1989-01-10 US disclosed
EP-0170524-A2 Nitrogen containing heterocyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1986-02-05 EP disclosed
EP-0028959-B1 5,8,13,13A-TETRAHYDRO-6H-DIBENZO(A,G)QUINOLIZINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM U.R.P.H.A. (FR) 1985-01-30 EP disclosed
EP-0028959-A1 5,8,13,13a-Tetrahydro-6H-dibenzo(a,g)quinolizine derivatives, process for their preparation and pharmaceutical compositions containing them U.R.P.H.A. (FR) 1981-05-20 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-20220387403-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING NASH, NAFLD, AND OBESITY LIPC, FABP1, CPT1A CYP4F2 451/4885CYP4A11 168/4885MAOB 1008/4885
US-10568879-B2 Dihydropyridoisoquinolinones and pharmaceutical compositions thereof for the treatment of inflammatory disorders GPR84, GPR88, GPR65 CYP4F2 2041/4885CYP4A11 1393/4885MAOB 3351/4885

“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.