SCHEMBL4325

SCHEMBL4325

C[CH]CC1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.40
▸ ADH1C P00326 2/20 0.37
▸ ADH1A P07327 2/20 0.37
▸ ADH1B P00325 1/20 0.37
▸ ADH4 P08319 1/20 0.37
▸ ADH7 P40394 1/20 0.37
▸ CHRM5 P08912 2/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ ACHE P22303 1/20 0.34
▸ SIGMAR1 Q99720 3/20 0.33
▸ NOS1 P29475 1/20 0.31
▸ NOS2 P35228 1/20 0.31
▸ SHBG P04278 1/20 0.31

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
SCHEMBL867085 1.00 CYP1A2 (0.40) CYP1A2ADH1CADH1AADH1BADH4
SCHEMBL5276 1.00 — —
SCHEMBL866288 1.00 CYP1A2 (0.40) CYP1A2ADH1CADH1AADH1BADH4
SCHEMBL5143 1.00 CYP1A2 (0.40) CYP1A2ADH1CADH1AADH1BADH4
SCHEMBL5241 0.97 — —
SCHEMBL5481 0.91 — —
SCHEMBL5172 0.84 — —
SCHEMBL818572 0.78 NOS2 (0.46) CYP1A2ADH1CADH1AADH1BADH4
SCHEMBL818573 0.78 NOS2 (0.46) CYP1A2ADH1CADH1AADH1BADH4
SCHEMBL10597539 0.78 NOS2 (0.46) CYP1A2ADH1CADH1AADH1BADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2785695-B1 NEW BICYCLIC DIHYDROISOQUINOLINE-1-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-06-17 — — EP disclosed
EP-3653618-A1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2020-05-20 — — EP disclosed
US-20200039930-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL AbbVie Deutschland GmbH & Co. KG (DE) 2020-02-06 — — US disclosed
EP-2755963-B1 NEW DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2019-10-30 — — EP disclosed
EP-2758388-B1 NEW BICYCLIC DIHYDROQUINOLINE-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2018-02-21 — — EP disclosed
CN-104619705-B Non- cyclic thienyl amides as the inhibitor of fatty acid binding protein (FABP) 4 and/or 5 霍夫曼-拉罗奇有限公司 2018-01-02 — — CN disclosed
EP-2838883-B1 NEW PHENYL-TETRAHYDROISOQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 — — EP disclosed
US-9809599-B2 Aryl-quinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2017-11-07 — — US disclosed
CN-103958478-B Bicyclic dihydroisoquinolin-1-one derivatives 霍夫曼-拉罗奇有限公司 2017-08-01 — — CN disclosed
EP-3191459-A1 FUSED HETEROCYCLIC OR CARBOCYCLIC COMPOUNDS CARRYING A SUBSTITUTED CYCLOALIPHATIC RADICAL AND USE THEREOF FOR TREATING VASOPRESSIN-RELATED DISEASES AbbVie Deutschland GmbH & Co. KG (DE) 2017-07-19 — — EP disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 — — EP disclosed
WO-2002042275-A1 2-ARYL-5-TRIFLUOROMETHYLPYRIDINES BASF AKTIENGESELLSCHAFT (DE) 2002-05-30 — — WO disclosed
WO-2001087863-A1 3-ARYLISOTHIAZOLES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-11-22 — — WO disclosed
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 — — US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 — — US disclosed
US-6054412-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 — — US disclosed
US-6054413-A AGRICULTURE, HORTICULTURE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 — — US disclosed
EP-0377139-B1 N-substituted acylamino acid compounds, process for their production and their use BANYU PHARMA CO LTD (JP) 1995-07-12 — — EP disclosed
US-5424309-A Hypotensive agents BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-06-13 — — US disclosed
EP-0377139-A1 N-substituted acylamino acid compounds, process for their production and their use Banyu Pharmaceutical Co., Ltd. (JP) 1990-07-11 — — 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 (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-20200039930-A1 PROLINE AMIDE COMPOUNDS AND THEIR AZETIDINE ANALOGUES CARRYING A SPECIFICALLY SUBSTITUTED BENZYL RADICAL HTR2C, HTR2A, HTR5A CYP1A2 126/4885ADH1C 644/4885ADH1A 961/4885

“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.

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