SCHEMBL3245653

SCHEMBL3245653

O=[C]N(c1ccccc1)C1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MITF O75030 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
PAX8 Q06710 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ESR1 P03372 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
USP30 Q70CQ3 1/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 1/20 0.31
NCOA1 Q15788 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31

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
SCHEMBL14855591 0.94 MEN1 (0.41) HTTALDH1A1MEN1KMT2AMITF
SCHEMBL14855771 0.92 MEN1 (0.44) HTTALDH1A1MEN1KMT2AMITF
SCHEMBL14855820 0.90 MEN1 (0.46) ALDH1A1MEN1KMT2AMITFSMN1; SMN2
SCHEMBL2393892 0.90 MEN1 (0.46) ALDH1A1MEN1KMT2AMITFSMN1; SMN2
SCHEMBL8487546 0.87 SLC6A4 (0.41) MEN1KMT2ALMNA
SCHEMBL4118367 0.71 CYP2C9 (0.40) ALDH1A1MEN1KMT2AMITFSMN1; SMN2
SCHEMBL3252095 0.69 KDM4E (0.42) ALDH1A1MEN1KMT2AMITFSMN1; SMN2
SCHEMBL2346417 0.69 TAAR1 (0.42) HTTALDH1A1MEN1KMT2AMITF
SCHEMBL11788207 0.69 SLC6A2 (0.45) HTTALDH1A1MEN1KMT2AALOX15
SCHEMBL14640497 0.69 SLC6A2 (0.45) HTTALDH1A1MEN1KMT2AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE HORIKOSHI, HIROYOSHI (CA) 2013-06-27 US disclosed
EP-2581373-A1 BENZO- OR PYRIDO-IMIDAZOLE DERIVATIVE Fujita, Takashi (JP) 2013-04-17 EP disclosed
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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 (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-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 HTT 3024/4885ALDH1A1 874/4885MEN1 300/4885
US-20130165446-A1 BENZO-OR PYRIDO-IMIDAZOLE DERIVATIVE PPARG, PPARA, PPARD HTT 4759/4885ALDH1A1 1612/4885MEN1 4822/4885

“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.