SCHEMBL4630620

SCHEMBL4630620

O=C(C1CCCCCC1)N1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.80
CHRNA3 P32297 2/20 0.80
CHRNA4 P43681 2/20 0.80
CHRNB3 Q05901 2/20 0.80
CHRNA6 Q15825 2/20 0.80
ALDH1A1 P00352 3/20 0.72
TSHR P16473 1/20 0.72
HPGD P15428 1/20 0.59
KMT2A Q03164 2/20 0.56
HSD11B1 P28845 6/20 0.55
LMNA P02545 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
CA2 P00918 1/20 0.52
CHKA P35790 1/20 0.52
HSD11B2 P80365 1/20 0.50

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
SCHEMBL22672737 1.00 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22672736 1.00 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL930742 1.00 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22672738 1.00 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7787652 1.00 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL2248932 0.98 CHRNB2 (0.77) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL911091 0.98 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Ammonia Solution, Strong SCHEMBL27973853 0.96 CHRNB2 (0.80) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL911817 0.94 CHRNB2 (0.83) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8314 0.89 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
US-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives PAMUKCU RIFAT (US) 2001-10-18 US disclosed
US-6262059-B1 Method of treating a patient having precancerous lesions with quinazoline derivatives CELL PATHWAYS, INC. 2001-07-17 US disclosed
US-4060615-A ANTIHYPERTENSIVE, PHOSPHODIESTERASE INHIBITOR MEAD JOHNSON & COMPANY (US) 1977-11-29 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-20010031760-A1 Method of treating a patient having precancerous lesions with quinazoline derivatives MKI67, PCNA, NQO2 CHRNB2 3256/4885CHRNA3 3246/4885CHRNA4 3655/4885

“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.