SCHEMBL43810

SCHEMBL43810

NC(=O)C1(c2ccccc2)CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.68
HDAC4 P56524 2/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
HSD11B1 P28845 3/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OPRL1 P41146 1/20 0.48
GAA P10253 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL42114 0.98 AKR1C1 (0.70) AKR1C1HDAC4MEN1KMT2ALMNA
SCHEMBL2184245 0.94 AKR1C1 (0.64) AKR1C1HDAC4MEN1KMT2ALMNA
SCHEMBL2722547 0.90 AKR1C1 (0.57) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
SCHEMBL501923 0.90 AKR1C1 (0.57) AKR1C1HDAC4MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL1804765 0.88 AKR1C1 (0.55) AKR1C1HDAC4MEN1KMT2AHSD11B1
SCHEMBL4558509 0.85 HDAC4 (0.51) AKR1C1HDAC4MEN1KMT2ALMNA
SCHEMBL66387 0.83 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ALMNA
SCHEMBL19249602 0.83 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ALMNA
SCHEMBL1041902 0.83 AKR1C1 (0.96) AKR1C1HDAC4MEN1KMT2ALMNA
SCHEMBL2440267 0.83 AKR1C1 (0.73) AKR1C1HDAC4MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
EP-3122743-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2022-11-09 EP claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-3351104-B1 COMPOUNDS FOR USE IN THE TREATMENT OF INTERMITTENT EXPLOSIVE DISORDER AZEVAN PHARMACEUTICALS INC (US) 2020-12-09 EP claimed
US-9597314-B2 Beta-lactamylalkanoic acids for treating premenstrual disorders AZEVAN PHARMACEUTICALS, INC. (US) 2017-03-21 US claimed
US-9409917-B2 Heterocyclic amide derivatives as P2X7 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2016-08-09 US claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2015-01-22 US claimed
EP-2804865-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2014-11-26 EP claimed
WO-2013108227-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-25 WO claimed
CN-101811986-A Method for producing pentylcyclohexylcyanobenzene JIANGSU KANGXIANG GROUP COMPANY 2010-08-25 CN claimed
EP-2066645-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB Pharma S.A. (BE) 2009-06-10 EP claimed
CN-101212974-A 4-fluoro-piperidine T-type calcium channel antagonists MERCK & CO INC (US) 2008-07-02 CN claimed
WO-2008031556-A2 2 AMINO-PYRIMIDINE DERIVATIVES AS H4 RECEPTOR ANTAGONISTS, PROCESSES FOR PREPARING THEM AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS UCB PHARMA, S.A. (BE) 2008-03-20 WO claimed
EP-1490043-A4 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO INC (US) 2007-05-30 EP claimed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP claimed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO claimed
JP-8253453-A None JP disclosed
EP-0725064-A1 Use of phenylcyclohexylcarboxylic amides BAYER AG (DE) 1996-08-07 EP disclosed
EP-0725064-A1 Use of phenylcyclohexylcarboxylic amides BAYER AG (DE) 1996-08-07 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 (3 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT AKR1C1 2925/4885HDAC4 435/4885MEN1 3194/4885
US-20150025075-A1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS P2RX7, P2RX1, P2RX3 AKR1C1 1000/4885HDAC4 2275/4885MEN1 3993/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B AKR1C1 1371/4885HDAC4 598/4885MEN1 1240/4885

“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.