SCHEMBL5954941

SCHEMBL5954941

Cc1cnn(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NOS1 P29475 1/20 0.35
POLB P06746 1/20 0.34
CHRNB2 P17787 7/20 0.34
CHRNA7 P36544 7/20 0.34
CHRNA4 P43681 7/20 0.34
TGM2 P21980 1/20 0.33
TGM1 P22735 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
SCHEMBL5955601 0.86 CHRNA7 (0.33) CHRNB2CHRNA7CHRNA4
SCHEMBL5954901 0.86 ELANE (0.37) CHRNB2CHRNA7CHRNA4
SCHEMBL5954801 0.86 ELANE (0.36) CHRNB2CHRNA7CHRNA4
SCHEMBL5955128 0.86 ROCK2 (0.37) ALDH1A1CHRNB2CHRNA7CHRNA4
SCHEMBL5954835 0.84 ALDH1A1 (0.30) ALDH1A1CHRNA7
SCHEMBL5954797 0.83 HSD11B1 (0.34)
SCHEMBL5955698 0.82 CHRNA7 (0.38) CHRNA7
SCHEMBL5955655 0.82 NAMPT (0.38) CHRNB2CHRNA7CHRNA4
SCHEMBL5955661 0.81 GRIN2B (0.35) CHRNA7
SCHEMBL5955548 0.80 CHRNA7 (0.38) CHRNB2CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 ALDH1A1 426/4885KDM4E 1907/4885LMNA 1129/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 ALDH1A1 112/4885KDM4E 2506/4885LMNA 3943/4885

“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.