SCHEMBL1764906

SCHEMBL1764906

CC(C)C1CCC(C)(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM1A O60341 1/20 0.30
MAOB P27338 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
Hydrochloric Acid SCHEMBL10429912 0.97 ALDH1A1 (0.43) ALDH1A1TDP1
SCHEMBL5074273 0.81 NOS3 (0.30)
SCHEMBL10598028 0.78 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL18791181 0.78
SCHEMBL29200463 0.77 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL25493842 0.74
SCHEMBL25162340 0.74
SCHEMBL3433997 0.74 ESR2 (0.38)
SCHEMBL25494981 0.74
SCHEMBL3850142 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090093001-A1 HIGH CONTENT SCREENING UNIVERSITY OF NOTTINGHAM 2009-04-09 US claimed
EP-1792182-A2 IMPROVEMENTS IN HIGH CONTENT SCREENING THE UNIVERSITY OF NOTTINGHAM (GB) 2007-06-06 EP claimed
US-20060211045-A1 Fluorescently tagged ligands CELLAURA TECHNOLOGIES LIMITED (GB) 2006-09-21 US claimed
WO-2006032926-A9 IMPROVEMENTS IN HIGH CONTENT SCREENING UNIV NOTTINGHAM (GB) 2006-05-04 WO claimed
WO-2006032926-A2 IMPROVEMENTS IN HIGH CONTENT SCREENING THE UNIVERSITY OF NOTTINGHAM (GB) 2006-03-30 WO claimed
EP-1623223-A2 FLUORESCENTLY TAGGED LIGANDS THE UNIVERSITY OF NOTTINGHAM (GB) 2006-02-08 EP claimed
WO-2004088312-A2 FLUORESCENTLY TAGGED LIGANDS UNIVERSITY OF NOTTINGHAM (GB) 2004-10-14 WO claimed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-11702414-B2 Thiadiazole IRAK4 inhibitors GILEAD SCIENCES, INC. (US) 2023-07-18 US disclosed
EP-2504324-B1 SULTAM DERIVATIVES HOFFMANN LA ROCHE (CH) 2015-02-25 EP disclosed
US-8349571-B2 High content screening CELLAURA TECHNOLOGIES LIMITED (GB) 2013-01-08 US disclosed
US-8314250-B2 Sultam derivatives HOFFMANN-LA ROCHE INC. (US) 2012-11-20 US disclosed
US-20110124686-A1 SULTAM DERIVATIVES ANDERSON KEVIN W 2011-05-26 US disclosed
EP-0282770-B1 OPTICALLY ACTIVE (METH)-ACRYLAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE SEPARATION OF RACEMATES BAYER AG (DE) 1990-06-27 EP disclosed
US-4937000-A SILICA-IMMOBILIZED HOMO-AND COPOLYMERS; ADSORBENTS FOR CHROMA TOGRAPHIC SEDARATION BAYER AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
US-4914159-A Optically active (meth)acrylamides, a process for their preparation, and their use for racemate resolution BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
EP-0282770-A1 Optically active (meth)-acrylamides, process for their preparation and their use in the separation of racemates BAYER AG (DE) 1988-09-21 EP disclosed
EP-0218089-B1 OPTICALLY ACTIVE (METH)-ACRYL AMIDE, POLYMERS THEREOF, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE SEPARATION OF RACEMATES BAYER AG (DE) 1988-06-22 EP disclosed
EP-0269806-A1 Phenylpyrazole carbonic acid derivatives, their preparation and use as plant growth regulators and antidotes HOECHST AKTIENGESELLSCHAFT (DE) 1988-06-08 EP disclosed
EP-0218089-A1 Optically active (meth)-acryl amide, polymers thereof, process for their preparation and their use in the separation of racemates BAYER AG (DE) 1987-04-15 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 (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-20090093001-A1 HIGH CONTENT SCREENING CD69, PMAIP1, HCFC1 ALDH1A1 4718/4885TDP1 4042/4885KDM1A 3622/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT ALDH1A1 982/4885TDP1 3947/4885KDM1A 2535/4885
US-11702414-B2 Thiadiazole IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ALDH1A1 1763/4885TDP1 334/4885KDM1A 509/4885
US-20110124686-A1 SULTAM DERIVATIVES SULT1A1, SULT2A1, SULT1E1 ALDH1A1 17/4885TDP1 1428/4885KDM1A 1432/4885

“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.