SCHEMBL2422374

SCHEMBL2422374

CCN(CC)CCOc1ccccc1C=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
HTT P42858 2/20 0.65
HPGD P15428 2/20 0.65
DRD2 P14416 1/20 0.59
DRD1 P21728 1/20 0.59
DRD3 P35462 1/20 0.59
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
MAOB P27338 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.50
CYP1A2 P05177 1/20 0.50
LTA4H P09960 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR1D P28221 1/20 0.48
HTR1B P28222 1/20 0.48
MAPT P10636 1/20 0.46
BIRC5 O15392 1/20 0.45

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
SCHEMBL11669697 0.92 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTHPGDDRD2
SCHEMBL11735898 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTHPGDDRD2
SCHEMBL9706154 0.84 DRD3 (0.67) ALDH1A1SMN1; SMN2HTTDRD2DRD1
SCHEMBL4888000 0.83 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HTTHPGDDRD2
Hydrochloric Acid SCHEMBL6561435 0.81 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HTTHPGDDRD2
SCHEMBL14365440 0.81 DRD2 (0.52) ALDH1A1SMN1; SMN2HTTHPGDDRD2
SCHEMBL812635 0.80 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2HTTHPGDKDM4E
SCHEMBL30920025 0.80 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2HTTHPGDKDM4E
SCHEMBL6914412 0.80 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTHPGDKDM4E
SCHEMBL14970711 0.79 DRD2 (0.71) ALDH1A1SMN1; SMN2HTTHPGDDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-20150051185-A1 Chemical Compounds 251 ASTRAZENECA AB (SE) 2015-02-19 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-8901307-B2 Chemical compounds 251 ASTRAZENECA AB (SE) 2014-12-02 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
US-20110218182-A1 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2011-09-08 US disclosed
WO-2010001169-A2 CHEMICAL COMPOUNDS 251 ASTRAZENECA AB (SE) 2010-01-07 WO disclosed
EP-1222191-A2 BENZODIAZEPIN DERIVATIVES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2002-07-17 EP disclosed
EP-1127052-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2001023386-A2 BENZODIAZEPIN DERIVATIVES, THE PRODUCTION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2001-04-05 WO disclosed
WO-2000026192-A1 SUBSTITUTED 2-PHENYLBENZIMIDAZOLES, THE PRODUCTION THEREOF AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 2000-05-11 WO disclosed
US-4053514-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1977-10-11 US disclosed
US-4038274-A ANTIDEPRESSANTS E. R. SQUIBB & SONS, INC. (US) 1977-07-26 US disclosed
US-3969527-A INDENO(1,2-C)PYRAZOLE E. R. SQUIBB & SONS, INC. (US) 1976-07-13 US disclosed
US-3968117-A CARDIOVASCULAR BAYER AKTIENGESELLSCHAFT (DT) 1976-07-06 US disclosed
US-3959296-A CARDIOVASCULAR AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 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 (2 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-20110218182-A1 CHEMICAL COMPOUNDS 251 PIM1, PIM3, PIM2 ALDH1A1 498/4885SMN1; SMN2 3689/4885HTT 2158/4885
US-20150051185-A1 Chemical Compounds 251 PIM1, PIM3, PIM2 ALDH1A1 683/4885SMN1; SMN2 4014/4885HTT 2191/4885

“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.