SCHEMBL3969775

SCHEMBL3969775

O=C1CCc2c1ccc(NCCc1ccccc1)c2-c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.41
MAPK1 P28482 2/20 0.41
PKM P14618 1/20 0.41
PDE4B Q07343 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 1/20 0.39
MTOR P42345 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RCE1 Q9Y256 1/20 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
SCHEMBL3971864 0.83 RAB9A (0.35) PKMPDE4BRAB9ANPC1MTOR
SCHEMBL3971870 0.83 RAB9A (0.35) PKMPDE4BRAB9ANPC1MTOR
SCHEMBL3966163 0.80 GSTP1 (0.41) MAPK1RAB9ANPC1MEN1KMT2A
SCHEMBL3965744 0.78 MAPT (0.38) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL3961968 0.76 TAAR1 (0.48) TAAR1MAPK1PKMRAB9ANPC1
SCHEMBL3968008 0.75 MAOB (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL3969777 0.73 MAPT (0.38) KMT2APOLBMAPTLMNASMN1; SMN2
SCHEMBL3962196 0.69 CSNK1D (0.40) MAPK1MEN1KMT2APOLBMAPT
SCHEMBL16193407 0.68 GSTP1 (0.55) MEN1KMT2APOLBHTTALDH1A1
SCHEMBL30841358 0.68 GSTP1 (0.48) ALDH1A1CYP1A2CYP2D6CYP2C9TSHR

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 1127/4885MAPK1 791/4885PKM 2270/4885

“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.