SCHEMBL4598726

SCHEMBL4598726

CC1CCCN(c2ccccc2CN)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.56
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 2/20 0.45
TPH1 P17752 1/20 0.45
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CSF1R P07333 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL15893336 0.82 NCF1 (0.52) NCF1HTTKDM4EKMT2AALDH1A1
SCHEMBL24018758 0.81 MEN1 (0.62) NCF1HTTKDM4EMAPTGAA
SCHEMBL16814948 0.81 NCF1 (0.50) NCF1KDM4EGAATPH1MEN1
SCHEMBL16814929 0.81 NCF1 (0.51) NCF1ALDH1A1
SCHEMBL3076827 0.80 GAA (0.65) HTTKDM4EMAPTTP53GAA
SCHEMBL23043941 0.80 GAA (0.65) HTTKDM4EMAPTTP53GAA
SCHEMBL30607551 0.79 NCF1 (0.50) NCF1HTTMAPTGAAKMT2A
SCHEMBL30607709 0.79 NCF1 (0.56) NCF1GAAMEN1KMT2AUSP2
SCHEMBL111729 0.78 NCF1 (0.72) NCF1KDM4EMAPTGAAKMT2A
SCHEMBL16814882 0.78 NCF1 (0.77) NCF1KDM4EMAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015089137-A1 ACYLGUANIDINES AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2015-06-18 WO disclosed
US-7456195-B2 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-25 US disclosed
EP-1910298-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Brystol-Myers Squibb Company (US) 2008-04-16 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 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-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 NCF1 4468/4885HTT 3772/4885KDM4E 1847/4885

“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.