SCHEMBL632906

SCHEMBL632906

c1ccc(NCC2CCCO2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 1/20 0.68
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 4/20 0.56
KDM4E B2RXH2 3/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
PDE5A O76074 1/20 0.53
PKM P14618 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ATM Q13315 1/20 0.51

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
SCHEMBL9684492 0.95 KCNH3 (0.62) KCNH3SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL10825975 0.83 KCNH3 (0.50) KCNH3SMN1; SMN2ALDH1A1HPGDGAA
Hydrochloric Acid SCHEMBL10986438 0.81 KCNH3 (0.52) KCNH3SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL29204233 0.79 EGLN2 (0.57) KCNH3SMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL175818 0.79 NPC1 (0.56) KCNH3SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL18901390 0.79 KCNH3 (0.50) KCNH3SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL2392508 0.78 KCNH3 (0.46) KCNH3SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL19392469 0.78 HPGD (0.58) KCNH3SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL20490286 0.78 HPGD (0.54) KCNH3SMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL1962657 0.77 KCNH3 (0.55) KCNH3SMN1; SMN2ALDH1A1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
CN-111343963-B Use of physiologically cooling active ingredients and compositions comprising such active ingredients 巴斯夫欧洲公司 2023-09-12 CN disclosed
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients BASF SE (DE) 2022-09-06 US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 US disclosed
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2020-06-18 US disclosed
WO-2019043164-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2019-03-07 WO disclosed
US-8586617-B2 Aminomethyl-4-imidazoles HOFFMANN-LA ROCHE INC. (US) 2013-11-19 US disclosed
EP-2076497-B1 AMINOMETHYL-4-IMIDAZOLES HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
US-20110086860-A1 COMPOUND KIMURA TEIJI 2011-04-14 US disclosed
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome EISAI R&D MANAGEMENT CO., LTD. 2009-11-12 US disclosed
EP-2076497-A1 AMINOMETHYL-4-IMIDAZOLES F. Hoffmann-Roche AG (CH) 2009-07-08 EP disclosed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US disclosed
WO-2008046757-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-04-24 WO disclosed
US-20080070902-A1 Cinnamide Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-03-20 US disclosed
EP-1757591-A1 CINNAMIDE COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-02-28 EP disclosed
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility EISAI CO., LTD. 2006-01-05 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 WO disclosed
US-5162322-A Anxiolytic agetns; humans, animals A. H. ROBBINS COMPANY, INCORPORATED (US) 1992-11-10 US 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-20110086860-A1 COMPOUND ARRB1, NR3C2, ADRA2C KCNH3 600/4885SMN1; SMN2 1928/4885ALDH1A1 149/4885
US-20090281310-A1 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehyde; inhibits production of A beta 40 and A beta 42 from amyloid precursor protein ; Alzheimer's disease and Down syndrome APP, PSEN1, BACE1 KCNH3 3935/4885SMN1; SMN2 82/4885ALDH1A1 451/4885
US-11434220-B2 Use of physiological cooling active ingredients, and compositions comprising such active ingredients TRPM8, TRPM7, TRPM5 KCNH3 491/4885SMN1; SMN2 4063/4885ALDH1A1 1810/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R KCNH3 751/4885SMN1; SMN2 1921/4885ALDH1A1 631/4885
US-20080070902-A1 Cinnamide Compound C1S, CCR1, CNR1 KCNH3 659/4885SMN1; SMN2 2370/4885ALDH1A1 58/4885
US-20060004013-A1 Alzheimer's disease, senile dementia, Down syndrome or amyloidosis; 3E)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one; imidazolyl-functional compounds inhibit production of Amyloid beta 40 and Amyloid beta 42; low hygroscopicity; good solubility PSEN1, APP, BACE1 KCNH3 1859/4885SMN1; SMN2 235/4885ALDH1A1 1375/4885
US-20200190052-A1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND COMPOSITIONS COMPRISING SUCH ACTIVE INGREDIENTS TRPM8, TRPM7, TRPM5 KCNH3 491/4885SMN1; SMN2 4063/4885ALDH1A1 1810/4885

“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.