SCHEMBL155437

SCHEMBL155437

COc1cc(C#CCCCCl)ccc1-c1cnc(C)o1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.38
PSEN2 P49810 6/20 0.38
APH1B Q8WW43 6/20 0.38
NCSTN Q92542 6/20 0.38
APH1A Q96BI3 6/20 0.38
PSENEN Q9NZ42 6/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CHRNB2 P17787 2/20 0.36
CHRNA2 Q15822 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
MAPT P10636 1/20 0.35
IMPDH2 P12268 2/20 0.34
LMNA P02545 1/20 0.34
LRRK2 Q5S007 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
SCHEMBL157186 0.80 AAK1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL157353 0.72 CA12 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3411035 0.72 IMPDH2 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL153885 0.69 CA12 (0.50) CA12CA2CA9IMPDH2LMNA
SCHEMBL16063166 0.68 KMT2A (0.51) CA12CA2CA9MAPTLMNA
SCHEMBL6123291 0.68 MAPT (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154457 0.68 IMPDH2 (0.45) CA12CA2CA9MAPTIMPDH2
SCHEMBL19210030 0.67 CHRNB2 (0.40) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL13520586 0.67 APP (0.47) CA12CA2CA9MAPT
Hydrochloric Acid SCHEMBL6122860 0.67 IMPDH2 (0.44) CA12CA2CA9MAPTIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
EP-2611805-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT Takeda Pharmaceutical Company Limited (JP) 2013-07-10 EP disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 US disclosed
WO-2012029991-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 WO 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885

“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.