SCHEMBL3530585

SCHEMBL3530585

CCCCCC1(C#N)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
TSHR P16473 1/20 0.31
CETP P11597 3/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL4818284 0.98 MEN1 (0.36) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL25862811 0.94 ALDH1A1 (0.34) MEN1POLBMAPTKMT2AALDH1A1
SCHEMBL7171314 0.94 NPC1 (0.32) NPC1MTORRAB9ATSHR
SCHEMBL22518978 0.92 TSHR (0.33) MEN1POLBMAPTKMT2ANPC1
SCHEMBL3413093 0.89 TSHR (0.35) NPC1MTORRAB9ATSHR
SCHEMBL24308962 0.87 TSHR (0.36) NPC1MTORRAB9ATSHR
SCHEMBL23572529 0.87 TSHR (0.36) NPC1MTORRAB9ATSHR
SCHEMBL11373490 0.85 NPC1 (0.39) ALDH1A1NPC1MTORRAB9A
SCHEMBL9553343 0.82 CYP1A2 (0.33)
SCHEMBL10479691 0.81 CYP1A2 (0.44) MEN1MAPTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125974-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION BY USING ALKYL-CYCLOHEXANE CARBONITRILE SOLVENTS SOLVAY SA (BE) 2024-06-20 WO disclosed
CN-107779202-B Preparation method of negative liquid crystal compound 河北迈尔斯通电子材料有限公司 2021-03-02 CN disclosed
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARAMCEUTICALS INC. (US) 2020-02-18 US disclosed
CN-109370609-A A kind of VA-LCD liquid-crystal composition of Low threshold low-power consumption low viscosity quick response 河北迈尔斯通电子材料有限公司 2019-02-22 CN disclosed
CN-107779203-A A kind of VA LCD liquid-crystal compositions of Low threshold low-power consumption 河北迈尔斯通电子材料有限公司 2018-03-09 CN disclosed
CN-107779202-A A kind of preparation method of negative liquid crystal compound 河北迈尔斯通电子材料有限公司 2018-03-09 CN disclosed
US-9868718-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2018-01-16 US disclosed
CN-107298980-A A kind of negative liquid crystal compound and preparation method thereof 河北迈尔斯通电子材料有限公司 2017-10-27 CN disclosed
EP-1976513-B1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC (US) 2016-08-24 EP disclosed
US-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2015-05-07 US disclosed
US-8877975-B2 Cycloalkylamines as monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2014-11-04 US disclosed
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SUNOVION PHARMACEUTICALS INC. 2010-07-29 US disclosed
EP-1976513-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS Sepracor, Inc. (US) 2008-10-08 EP disclosed
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-30 US disclosed
WO-2007081857-A2 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SEPRACOR INC. (US) 2007-07-19 WO disclosed
EP-0034415-B1 1-(CYCLOHEXYL OR CYCLOHEXENYL)-4-ARYL-4-PIPERIDINECARBOXYLIC ACID DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-05-30 EP disclosed
US-4369184-A ANTIHISTAMINES; HETEROCYCLIC NITRILES JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-18 US disclosed
EP-0034415-A1 1-(Cyclohexyl or cyclohexenyl)-4-aryl-4-piperidinecarboxylic acid derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-08-26 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-20150126511-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 MEN1 4234/4885POLB 2628/4885MAPT 969/4885
US-20070203111-A1 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 MEN1 4234/4885POLB 2628/4885MAPT 969/4885
US-20100190861-A1 CYCLOALKYLAMINES AS MONOAMINE REUPTAKE INHIBITORS SLC18A2, SLC6A2, SLC18A3 MEN1 4234/4885POLB 2628/4885MAPT 969/4885
US-10562878-B2 Cycloalkylamines as monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC18A3 MEN1 4234/4885POLB 2628/4885MAPT 969/4885

“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.