SCHEMBL6353532

SCHEMBL6353532

c1cc(NN2CCCCC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHKA P35790 1/20 0.45
CTSD P07339 1/20 0.42
KDM1A O60341 1/20 0.42
SLC6A2 P23975 4/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
EPHX1 P07099 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
MDM2 Q00987 1/20 0.35
CYP2C19 P33261 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL1837106 0.98 CHKA (0.46) CHKACTSDKDM1ASLC6A2CYP1A2
SCHEMBL5255784 0.79 CTSD (0.39) CTSDSLC6A2TDP1ROCK1
SCHEMBL7627201 0.77 KDM1A (0.53) CTSDKDM1ACYP1A2CYP3A4TDP1
SCHEMBL17911056 0.77 KDM1A (0.53) CTSDKDM1ACYP1A2CYP3A4TDP1
SCHEMBL73610 0.77 KDM1A (0.53) CTSDKDM1ACYP1A2CYP3A4TDP1
SCHEMBL6352342 0.76 LMNA (0.44) KDM1ATDP1MAPK1LMNA
SCHEMBL7098715 0.76 LMNA (0.44) KDM1ATDP1MAPK1LMNA
SCHEMBL1752645 0.75 KDM1A (0.50) CTSDKDM1ASLC6A2CYP1A2CYP3A4
SCHEMBL8751335 0.74 ALDH1A1 (0.44) KDM1ACYP1A2CYP3A4TDP1L3MBTL1
SCHEMBL4152136 0.74 KDM1A (0.38) KDM1A

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-6878725-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-04-12 US disclosed
US-20040242656-A1 Serine protease inhibitors LIEBESCHUETZ JOHN WALTER (GB) 2004-12-02 US disclosed
EP-1289950-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2004-09-08 EP disclosed
US-20030078438-A1 Serine protease inhibitors ELI LILLY AND COMPANY 2003-04-24 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 (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-20030078438-A1 Serine protease inhibitors HPN, LPXN, PRSS1 CHKA 2977/4885CTSD 87/4885KDM1A 2558/4885
US-20040242656-A1 Serine protease inhibitors SERPINE1, PRSS1, SERPINB1 CHKA 3342/4885CTSD 112/4885KDM1A 1603/4885

“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.