SCHEMBL3967331

SCHEMBL3967331

Cc1ccccc1CN1CC[N]CC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
CYP2A13 Q16696 1/20 0.64
LMNA P02545 2/20 0.62
ACHE P22303 1/20 0.62
KDM4E B2RXH2 5/20 0.54
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
FABP6 P51161 1/20 0.48
CYP2C19 P33261 1/20 0.48
TRPC5 Q9UL62 1/20 0.47

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
SCHEMBL1111691 0.86 HTR7 (0.56) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL3962168 0.86 KMT2A (0.49) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL329437 0.82 KMT2A (0.72) KMT2ACYP2A13LMNAACHEKDM4E
Hydrochloric Acid SCHEMBL23850614 0.81 LMNA (0.71) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL12856255 0.81 KMT2A (0.76) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL1164984 0.81 KMT2A (0.70) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL1882777 0.81 KMT2A (0.70) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL918507 0.79 KMT2A (0.41) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL11891934 0.79 KMT2A (0.73) KMT2ACYP2A13LMNAACHEKDM4E
SCHEMBL5578771 0.79 KMT2A (0.68) KMT2ACYP2A13LMNAACHEKDM4E

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
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
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 KMT2A 2733/4885CYP2A13 274/4885LMNA 1739/4885

“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.