SCHEMBL3208254

SCHEMBL3208254

O=C(NCCc1c[nH]cn1)C1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.48
CCNK O75909 2/20 0.47
CDK12 Q9NYV4 2/20 0.47
HTR2C P28335 7/20 0.43
HTR2B P41595 4/20 0.43
TERT O14746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HTR2A P28223 2/20 0.36
SCN3A Q9NY46 2/20 0.36
SCN9A Q15858 1/20 0.36

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
SCHEMBL8057395 1.00 PRCP (0.48) PRCPCCNKCDK12HTR2CHTR2B
SCHEMBL19051493 0.96 PRCP (0.44) PRCPCCNKCDK12HTR2CHTR2B
SCHEMBL2822143 0.80 ALDH1A1 (0.50) KDM4E
SCHEMBL3207976 0.79 GNAI3 (0.45) KDM4E
SCHEMBL8066737 0.79 CTSC (0.34)
SCHEMBL18381195 0.79 SMN1; SMN2 (0.41) KDM4EHTR2A
SCHEMBL18048893 0.76 CTSC (0.45) HTR2CHTR2BTERT
SCHEMBL18048894 0.76 CTSC (0.45) HTR2CHTR2BTERT
SCHEMBL3333627 0.75 CCNK (0.50) PRCPCCNKCDK12HTR2CHTR2B
SCHEMBL18154904 0.75 PRCP (0.49) PRCPCCNKCDK12HTR2CHTR2B

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-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 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 (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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B PRCP 1808/4885CCNK 138/4885CDK12 68/4885

“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.