SCHEMBL4797969

SCHEMBL4797969

Clc1ncccc1OC1=CC[CH]C=C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL4799690 0.82 ADORA2A (0.37) CHRNB2CHRNA4
SCHEMBL1415536 0.75 CHRNB2 (0.34) CHRNB2CHRNA4
SCHEMBL16586557 0.74 LMNA (0.43) CHRNB2CHRNA4SMN1; SMN2LMNA
SCHEMBL4004855 0.73 KDM4E (0.38) LMNA
SCHEMBL18741404 0.69 SLC6A2 (0.38)
SCHEMBL3875262 0.66 LMNA (0.46) SMN1; SMN2LMNA
SCHEMBL11543918 0.66 SLC6A2 (0.47) SMN1; SMN2HTTLMNA
SCHEMBL1415432 0.65 RAB9A (0.47) SMN1; SMN2HTT
SCHEMBL11544019 0.64 L3MBTL1 (0.48) HTTLMNA
SCHEMBL5317392 0.64 GAA (0.50) SMN1; SMN2HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor FRIZER INC. 2008-08-14 US disclosed
US-7332493-B2 Substituted bicyclic derivatives for the treatment of abnormal cell growth OSI PHARMACEUTICALS (US) 2008-02-19 US disclosed
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth PFIZER INC 2005-07-21 US disclosed
US-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer PFIZER INC 2005-05-12 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 (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-20050101618-A1 Selective erbB2 inhibitor/anti-erbB antibody combinations in the treatment of cancer ERBB2, ERBB3, EGFR CHRNB2 3275/4885CHRNA4 3661/4885SMN1; SMN2 4053/4885
US-20080194596-A1 Therapeutic Combination Including a Selective Erbb2 Inhibitor ERBB2, ERBB3, EGFR CHRNB2 3563/4885CHRNA4 4481/4885SMN1; SMN2 2882/4885
US-20050159435-A1 Substituted bicyclic derivatives for the treatment of abnormal cell growth CCNA1, CCNT1, CCNB1 CHRNB2 4735/4885CHRNA4 4741/4885SMN1; SMN2 915/4885

“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.