SCHEMBL2168378

SCHEMBL2168378

CC(=O)CC1(CC(=O)O)CCCCC1

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
CYP1A2 P05177 2/20 0.61
USP2 O75604 2/20 0.61
LMNA P02545 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
CACNA2D1 P54289 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HSD11B1 P28845 1/20 0.44
HPGD P15428 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL14448382 1.00 ALDH1A1 (0.61) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL13863969 0.98 CYP1A2 (0.57) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL10299523 0.93 CYP1A2 (0.52) ALDH1A1CYP1A2USP2LMNATSHR
Cyclohexane SCHEMBL1243556 0.91 CYP1A2 (0.46) ALDH1A1CYP1A2USP2LMNATSHR
Cyclohexane SCHEMBL4960596 0.91 CYP1A2 (0.46) ALDH1A1CYP1A2USP2LMNATSHR
Cyclohexane SCHEMBL6664121 0.91 CYP1A2 (0.46) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL11032622 0.91 CYP1A2 (0.46) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL4570512 0.89 CYP1A2 (0.45) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL98282 0.89 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR
SCHEMBL3421776 0.89 ALDH1A1 (0.74) ALDH1A1CYP1A2USP2LMNATSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING NOVIUS THERAPEUTICS, LLC (US) 2023-05-18 US disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 US disclosed
US-7985772-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2011-07-26 US disclosed
US-7855230-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2010-12-21 US disclosed
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES UCB PHARMA GMBH (DE) 2010-10-07 US disclosed
US-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2009-02-12 US disclosed
US-7384980-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2008-06-10 US disclosed
US-7230030-B2 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2007-06-12 US disclosed
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2006-11-30 US disclosed
EP-1656141-A1 TREATMENT FOR ALZHEIMER S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LTD. (GB) 2006-05-17 EP disclosed
WO-2005013985-A1 TREATMENT FOR ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK SHARP & DOHME LIMITED (GB) 2005-02-17 WO disclosed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 US disclosed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 US disclosed
EP-1254890-A1 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2002-11-06 EP disclosed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 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 (5 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-20090042981-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 ALDH1A1 1088/4885CYP1A2 122/4885USP2 1225/4885
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 ALDH1A1 928/4885CYP1A2 91/4885USP2 1446/4885
US-20230150931-A1 FABP4/5 INHIBITORS, METHODS OF USE AND METHODS OF MAKING FABP5, FABP1, FABP4 ALDH1A1 521/4885CYP1A2 1508/4885USP2 2332/4885
US-20060270738-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 ALDH1A1 928/4885CYP1A2 91/4885USP2 1446/4885
US-20100256231-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES ADRB3, TNNI3, ADRB2 ALDH1A1 1088/4885CYP1A2 122/4885USP2 1225/4885

“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.