Sugi Predict

Sugi Predict / Compounds / SCHEMBL736285

SCHEMBL736285

SCHEMBL736285

C[C@H]1CCN(Cc2ccccc2)C[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.62
▸ ACHE P22303 3/20 0.60
▸ FUCA1 P04066 2/20 0.60
▸ SLC18A3 Q16572 1/20 0.57
▸ MAPT P10636 1/20 0.53
▸ BCHE P06276 2/20 0.51
▸ BACE1 P56817 2/20 0.51
▸ GBA1 P04062 1/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CCR3 P51677 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SIGMAR1 Q99720 2/20 0.49
▸ GRIN1 Q05586 1/20 0.49
▸ GRIN2B Q13224 1/20 0.49

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
SCHEMBL736287 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL1036718 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL736286 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL28461967 1.00 ALDH1A1 (0.62) ALDH1A1ACHEFUCA1SLC18A3MAPT
Hydrochloric Acid SCHEMBL28093868 0.98 ALDH1A1 (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT
Alcohol SCHEMBL7113880 0.95 ALDH1A1 (0.57) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL5745121 0.92 ALDH1A1 (0.54) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL765298 0.87 ACHE (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL914717 0.87 ACHE (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT
SCHEMBL10267804 0.87 ACHE (0.60) ALDH1A1ACHEFUCA1SLC18A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491022-B1 DIAZEPAN DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS HOFFMANN LA ROCHE (CH) 2014-12-31 — — EP disclosed
EP-2307387-B1 NOVEL HETEROCYCLYL COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASE HOFFMANN LA ROCHE (CH) 2013-11-20 — — EP disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-8445674-B2 Heterocyclyl compounds Hoffmann-La Roche Inc (US) 2013-05-21 — — US disclosed
US-8138175-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-03-20 — — US disclosed
US-8071586-B2 Heterocyclyl compounds HOFFMANN-LA ROCHE INC. (US) 2011-12-06 — — US disclosed
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 — — US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2011-04-21 — — US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 — — EP disclosed
WO-2007122103-A1 DIAZEPAN DERIVATIVES MODULATORS OF CHEMOKINE RECEPTORS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-01 — — WO disclosed
US-20070249589-A1 Novel diazepan derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-10-25 — — US disclosed
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 — — EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 — — US disclosed
US-6953792-B2 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2005-10-11 — — US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 — — US disclosed
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-04 — — US disclosed
US-20030032806-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2003-02-13 — — US disclosed
US-20020049352-A1 Oxidation of carbon-boron bonds CAI WEILING (US) 2002-04-25 — — US disclosed
EP-1167329-A2 Oxidation of carbon-boron bonds Pfizer Products Inc. (US) 2002-01-02 — — 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 (7 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A ALDH1A1 1452/4885ACHE 314/4885FUCA1 3267/4885
US-20030032806-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 ALDH1A1 1925/4885ACHE 4086/4885FUCA1 4581/4885
US-20070249589-A1 Novel diazepan derivatives CCR3, CCR1, CCR10 ALDH1A1 2871/4885ACHE 2686/4885FUCA1 4137/4885
US-20030225059-A1 Cyclohexyl derivatives and their use as therapeutic agents CNR2, CNR1, HRH2 ALDH1A1 1721/4885ACHE 334/4885FUCA1 3674/4885
US-20020049352-A1 Oxidation of carbon-boron bonds CYBB, FOSB, SCO2 ALDH1A1 1925/4885ACHE 4086/4885FUCA1 4581/4885
US-20110092698-A1 NOVEL HETEROCYCLYL COMPOUNDS CCR2, CCR3, CCR1 ALDH1A1 2451/4885ACHE 4580/4885FUCA1 3894/4885
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 ALDH1A1 1239/4885ACHE 4538/4885FUCA1 3906/4885

“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.