SCHEMBL11465764

SCHEMBL11465764

OCC(O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.65
ADRA2A P08913 1/20 0.63
ADRA2B P18089 1/20 0.63
ADRA2C P18825 1/20 0.63
GAA P10253 3/20 0.62
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
MAPK1 P28482 2/20 0.59
MEN1 O00255 1/20 0.59
HTT P42858 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 1/20 0.59
CACNA1G O43497 1/20 0.56
KCNH2 Q12809 1/20 0.56
SIGMAR1 Q99720 3/20 0.56
KDM4E B2RXH2 4/20 0.56
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56

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
SCHEMBL11460456 0.93 IGF1R (0.70) IGF1RGAAMAPTALDH1A1MAPK1
SCHEMBL13875132 0.90 IGF1R (0.65) IGF1RGAAMAPTALDH1A1MAPK1
SCHEMBL11453795 0.85 IGF1R (0.67) IGF1RGAAMAPTALDH1A1MAPK1
SCHEMBL14355261 0.85 CACNA1G (0.67) IGF1RGAAMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL8576435 0.84 IGF1R (0.65) IGF1RGAAMAPTALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11723131 0.82 IGF1R (0.57) IGF1RGAAMAPTALDH1A1MAPK1
SCHEMBL4754252 0.82 GAA (0.68) IGF1RGAAMAPTALDH1A1MAPK1
SCHEMBL8272363 0.82 IGF1R (0.57) IGF1RGAAMAPTALDH1A1MAPK1
SCHEMBL8373462 0.81 SIGMAR1 (0.69) IGF1RMAPTALDH1A1MAPK1LMNA
SCHEMBL2017995 0.81 MAPT (0.74) IGF1RGAAMAPTALDH1A1MAPK1

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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
US-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS THE INSTITUTE OF MOLECULAR MEDICINE (IN) 2011-03-10 US disclosed
WO-2009091324-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATES AS ANTI-MYCOBACTERIAL AGENTS CHATTOPADHYAYA JYOTI (SE) 2009-07-23 WO disclosed
US-4203986-A TRANQUILIZERS, SEDATIVES, ANTITUSSIVE AGNETS METABIO-JOULLIE (FR) 1980-05-20 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-20110059948-A1 QUINOLINE, NAPHTHALENE AND CONFORMATIONALLY CONSTRAINED QUINOLINE OR NAPHTHALENE DERIVATIVES AS ANTI-MYCOBACTERIAL AGENTS NQO1, NQO2, NDUFV1 IGF1R 4812/4885ADRA2A 1570/4885ADRA2B 1393/4885

“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.