SCHEMBL1450332

SCHEMBL1450332

CN(C)CCN1CCCc2ccccc21

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.82
LMNA P02545 3/20 0.82
MAPT P10636 3/20 0.82
KDM4E B2RXH2 2/20 0.82
PTK2B Q14289 1/20 0.82
ESR2 Q92731 1/20 0.82
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
USP2 O75604 1/20 0.56
CDK4 P11802 1/20 0.56
ALOX15 P16050 1/20 0.56
CCND1 P24385 1/20 0.56
CHRM2 P08172 12/20 0.54
CHRM4 P08173 12/20 0.54
CHRM1 P11229 12/20 0.54
CHRM3 P20309 11/20 0.54
SLC6A4 P31645 2/20 0.54
HRH1 P35367 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
SLC22A2 O15244 1/20 0.54

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
SCHEMBL7680979 0.90 ALDH1A1 (1.00) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL10983074 0.88 ALDH1A1 (0.64) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL10993180 0.88 ALDH1A1 (0.64) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL7951597 0.84 ALDH1A1 (0.77) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL27481410 0.83 ALDH1A1 (0.61) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL30945840 0.81 ALDH1A1 (0.97) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL6197333 0.81 ALDH1A1 (0.97) ALDH1A1LMNAMAPTKDM4EPTK2B
Acetic Acid SCHEMBL10985679 0.81 MAPT (0.56) ALDH1A1LMNAMAPTKDM4EPTK2B
Sulfuric Acid SCHEMBL10985440 0.81 ALDH1A1 (0.56) ALDH1A1LMNAMAPTKDM4EPTK2B
SCHEMBL28863147 0.81 MAPT (0.82) ALDH1A1LMNAMAPTKDM4EPTK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383839-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-8173813-B2 selectively inhibit neuronal nitric oxide synthase in combination with other pharmaceutically active agents; antidepressants NEURAXON, INC. (CA) 2012-05-08 US disclosed
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-05-12 US disclosed
US-7910751-B2 Heterocyclidene acetamide derivative MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2011-03-22 US disclosed
US-20080287428-A1 Novel Heterocyclidene Acetamide Derivative MOCHIDA PHARMACEUTICAL CO.,LTD (JP) 2008-11-20 US disclosed
WO-2008116308-A1 QUINOLONE AND TETRAHYDROQUINOLINE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-10-02 WO disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2008-09-25 US disclosed
EP-1908753-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2008-04-09 EP disclosed
US-4237048-A COLORFASTNESS; FOR DYEING NATURAL AND SYNTHETIC FIBERS BAYER AKTIENGESELLSCHAFT (DE) 1980-12-02 US disclosed
US-4105655-A PHENYL-AZO-ANILINO DYESTUFF BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 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 (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-20080287428-A1 Novel Heterocyclidene Acetamide Derivative TRPV1, TRPV3, TRPA1 ALDH1A1 2362/4885LMNA 3355/4885MAPT 4346/4885
US-20080234237-A1 QUINOLONE AND TETRAHYDROQUINOLONE AND RELATED COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NOS1, NOS2, NOS3 ALDH1A1 1027/4885LMNA 2991/4885MAPT 1956/4885
US-20110112071-A1 NOVEL HETEROCYCLIDENE ACETAMIDE DERIVATIVE TRPV1, TRPV3, TRPA1 ALDH1A1 2362/4885LMNA 3355/4885MAPT 4346/4885

“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.