SCHEMBL3961968

SCHEMBL3961968

O=C1CCc2c1ccc(NCCc1ccccc1)c2Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
PKM P14618 2/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK14 Q16539 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MTOR P42345 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
NSD2 O96028 1/20 0.39
HSP90AA1 P07900 1/20 0.39
G6PD P11413 1/20 0.39
CCR6 P51684 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TLR9 Q9NR96 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL3969775 0.76 TAAR1 (0.41) TAAR1PKMMAPK1POLBMEN1
SCHEMBL3964467 0.69 MAPK14 (0.47) KDM4EMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL15300031 0.69 HSD17B10 (0.45) PKMPOLBMEN1KMT2AMAPT
SCHEMBL3965967 0.69 PKM (0.50) TAAR1PKMMAPK1MAPK14L3MBTL1
SCHEMBL3961972 0.68 ALDH1A1 (0.41) MAPTKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL11059596 0.67 RAB9A (0.77) TAAR1PKMMAPK1POLBMEN1
SCHEMBL5582059 0.67 BAZ2B (0.46) POLBMAPTKDM4ERAB9ANPC1
SCHEMBL11172903 0.67 RAB9A (0.66) TAAR1PKMMAPK1POLBMEN1
SCHEMBL10730115 0.67 NPC1 (0.58) TAAR1PKMMAPK1POLBMEN1
SCHEMBL28346611 0.66 PTGS2 (0.41) TAAR1PKMMAPK1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP disclosed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US disclosed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 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 (1 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R TAAR1 1127/4885PKM 2270/4885MAPK1 791/4885

“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.