SCHEMBL7787856

SCHEMBL7787856

O=C(C1C=CCC1)N1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.53
▸ CHRNA3 P32297 2/20 0.53
▸ CHRNA4 P43681 2/20 0.53
▸ CHRNB3 Q05901 2/20 0.53
▸ CHRNA6 Q15825 2/20 0.53
▸ CA2 P00918 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CHKA P35790 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ DDB1 Q16531 1/20 0.32
▸ CRBN Q96SW2 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31

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
SCHEMBL1463552 0.76 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4
SCHEMBL7797393 0.74 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23280362 0.73 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1463426 0.73 CHRNA4 (0.58) CHRNB2CHRNA3CHRNA4
SCHEMBL11735962 0.70 CHRNB2 (0.74) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL8314 0.70 CHRNB2 (1.00) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7794245 0.69 CHRNB2 (0.67) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1706180 0.69 CHRNB2 (0.87) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Hydrochloric Acid SCHEMBL1018088 0.69 CHRNB2 (0.95) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
Piperazine SCHEMBL28221523 0.69 CHRNB2 (0.95) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

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