SCHEMBL5111132

SCHEMBL5111132

c1cnc(N2CCN3CCCC2C3)cn1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
CHRM2 P08172 2/20 0.36
CHRM4 P08173 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP11B2 P19099 1/20 0.35
CHRM1 P11229 1/20 0.35
VNN1 O95497 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL5121931 0.91 KDM4E (0.38) KMT2ACHRM2CHRM4KDM4E
SCHEMBL5112722 0.91 CHRM2 (0.39) KMT2ACHRM2KDM4ECHRM1
Hydrochloric Acid SCHEMBL5114199 0.89 CHRM2 (0.38) KMT2ACHRM2KDM4ECHRM1
SCHEMBL5111763 0.88 HTR3A (0.39) KMT2ACHRM2CHRM4KDM4E
SCHEMBL5121163 0.85 CHRM2 (0.39) KMT2ACHRM2KDM4ECHRM1
SCHEMBL5109486 0.79 KDM4E (0.39) KDM4E
SCHEMBL5111574 0.75 CHRNB2 (0.49)
SCHEMBL5109400 0.74 PDE10A (0.38)
SCHEMBL5122066 0.74 CNR2 (0.39)
SCHEMBL5112649 0.73 MAPT (0.40) KMT2AKDM4E

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
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US claimed
US-7442694-B2 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC (US) 2008-10-28 US disclosed
US-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders PFIZER INC 2004-06-03 US 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-20040106603-A1 Diazabicyclic compounds useful in the treatment of CNS and other disorders DBH, CHRNA6, DDT KMT2A 2103/4885CHRM2 30/4885CHRM4 29/4885

“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.