SCHEMBL7794343

SCHEMBL7794343

CC1(C(=O)N2CCNCC2)CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.48
CHKA P35790 1/20 0.48
HSD11B1 P28845 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHRNB2 P17787 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
CHRNB3 Q05901 1/20 0.38
CHRNA6 Q15825 1/20 0.38
SMYD3 Q9H7B4 1/20 0.37
GRM1 Q13255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
EPHX2 P34913 1/20 0.34

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
SCHEMBL7797415 0.98 HSD11B1 (0.46) CA2CHKAHSD11B1CA12CA1
SCHEMBL26767472 0.94 HSD11B1 (0.50) CA2CHKAHSD11B1CA12CA1
Hydrochloric Acid SCHEMBL30675899 0.92 HSD11B1 (0.49) CA2CHKAHSD11B1CA12CA1
SCHEMBL14654230 0.90 HSD11B1 (0.48) CA2CHKAHSD11B1CA12CA1
SCHEMBL1159970 0.89 HSD11B1 (0.46) CA2CHKAHSD11B1CA12CA1
Hydrochloric Acid SCHEMBL21590494 0.88 HSD11B1 (0.47) CA2CHKAHSD11B1CA12CA1
Trifluoroacetic Acid SCHEMBL29996975 0.83 PKM (0.42) CA2CHKAHSD11B1CA12CA1
SCHEMBL2674112 0.82 CA2 (0.45) CA2CHKAHSD11B1SMYD3CYP1A2
SCHEMBL28192352 0.80 HSD11B1 (0.52) CA2CHKAHSD11B1CA12CA1
Trifluoroacetic Acid SCHEMBL29701107 0.79 PKM (0.44) CA2CHKAHSD11B1CA12CA1

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-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
EP-0475895-A1 Acyl derivatives of rifamycins and their use as medicaments CIBA-GEIGY AG (CH) 1992-03-18 EP 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 CA2 1450/4885CHKA 1950/4885HSD11B1 698/4885

“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.