SCHEMBL94693

SCHEMBL94693

[CH2]CN(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
ALDH1A1 P00352 4/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ESR1 P03372 1/20 0.34
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAOA P21397 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2002725 0.83 TAAR1 (0.47) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL23319704 0.82 TAAR1 (0.46) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL94876 0.81 TSHR (0.38) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL2398343 0.79 TAAR1 (0.47) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL94752 0.78 TAAR1 (0.44) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL317239 0.77 TAAR1 (0.46) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL11577944 0.77 TAAR1 (0.46) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL5367358 0.77 TAAR1 (0.42) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL8959902 0.76 TAAR1 (0.49) TAAR1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL627250 0.76 TAAR1 (0.53) TAAR1ALDH1A1KMT2ATSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-0319728-B1 NAPHTHALACTAM TRIMETHINE DYESTUFFS AND OPTICAL RECORDING MEDIUM CONTAINING THESE DYESTUFFS BASF Aktiengesellschaft (DE) 1991-11-27 EP disclosed
US-5002863-A Methine dyes BASF AKTIENGESELLSCHAFT (DE) 1991-03-26 US disclosed
EP-0319728-A1 Naphthalactam trimethine dyestuffs and optical recording medium containing these dyestuffs BASF Aktiengesellschaft (DE) 1989-06-14 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB TAAR1 3793/4885ALDH1A1 2948/4885TP53 3154/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 TAAR1 2154/4885ALDH1A1 2458/4885TP53 1280/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 TAAR1 2154/4885ALDH1A1 2458/4885TP53 1280/4885

“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.