SCHEMBL13631069

SCHEMBL13631069

O=C(c1cccc(F)c1N1CCCCC1)[C@@H]1CCCNC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
SSTR4 P31391 1/20 0.38
MEN1 O00255 1/20 0.38
HPGD P15428 1/20 0.38
SLC6A1 P30531 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC6A11 P48066 1/20 0.38
LMNA P02545 1/20 0.38
SLC6A13 Q9NSD5 1/20 0.38
ALDH1A1 P00352 3/20 0.38
ATM Q13315 2/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CDK9 P50750 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL4779495 0.76 SLC6A1 (0.42) KMT2ASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL4755192 0.76 SLC6A2 (0.49) KMT2ASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL9017801 0.73 SLC6A2 (0.55) KMT2ASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL4303570 0.72 GAA (0.47) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL3878807 0.72 GAA (0.47) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL26085824 0.71 KDM4E (0.49) KMT2ASLC6A1TSHRSMN1; SMN2SLC6A11
SCHEMBL12023170 0.69 CDK5 (0.47) KMT2AMEN1SLC6A1TSHRSMN1; SMN2
SCHEMBL3957507 0.69 CDK5 (0.47) KMT2AMEN1SLC6A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5476506 0.68 CDK5 (0.47) KMT2AMEN1SLC6A1TSHRSMN1; SMN2
Hydrochloric Acid SCHEMBL5476502 0.68 CDK5 (0.47) KMT2AMEN1SLC6A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090275581-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
US-20090264428-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2009-10-22 US disclosed
WO-2007117482-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO 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 (2 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-20090275581-A1 RENIN INHIBITORS REN, ACE, SERPINB1 KMT2A 4668/4885SSTR4 1618/4885MEN1 2976/4885
US-20090264428-A1 Renin Inhibitors REN, ACE, SERPINB1 KMT2A 4507/4885SSTR4 2855/4885MEN1 2421/4885

“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.