SCHEMBL7787863

SCHEMBL7787863

O=C(C1=CCCCC1)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
HDAC4 P56524 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
CA2 P00918 2/20 0.40
CHKA P35790 1/20 0.40
HPGD P15428 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL7797447 0.95 SIGMAR1 (0.47) SIGMAR1HDAC4HDAC2HDAC8HDAC6
SCHEMBL12193247 0.83 SIGMAR1 (0.46) SIGMAR1RXFP1CA2CHKAHPGD
SCHEMBL18896689 0.77 LMNA (0.42) HDAC4HDAC2HDAC8HDAC6LMNA
SCHEMBL15821744 0.77 LMNA (0.42) HDAC4HDAC2HDAC8HDAC6LMNA
SCHEMBL17953051 0.76 CHRNA4 (0.50)
SCHEMBL2924871 0.72 CA2 (0.52) SIGMAR1RXFP1CA2CHKAHPGD
SCHEMBL18896691 0.71 LMNA (0.46) HDAC4HDAC2HDAC8HDAC6LMNA
SCHEMBL15821662 0.71 LMNA (0.46) HDAC4HDAC2HDAC8HDAC6LMNA
SCHEMBL8158841 0.71
SCHEMBL1463716 0.70 CHRNA4 (0.51)

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 SIGMAR1 3912/4885HDAC4 961/4885HDAC2 1726/4885

“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.