SCHEMBL5570751

SCHEMBL5570751

NCC1(N)CCN(Cc2ccccc2)C1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
HSD17B10 Q99714 1/20 0.51
SIGMAR1 Q99720 3/20 0.50
OPRL1 P41146 2/20 0.49
TSHR P16473 3/20 0.48
CYP2D6 P10635 3/20 0.48
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
HIF1A Q16665 1/20 0.47
POLB P06746 1/20 0.47
OPRM1 P35372 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CCR3 P51677 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL75789 0.90 CYP2D6 (0.55) CYP3A4HSD17B10SIGMAR1TSHRCYP2D6
SCHEMBL1586461 0.90 CYP3A4 (0.59) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL9749110 0.87 MAOA (0.56) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL13201457 0.85 CYP3A4 (0.50) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL13201417 0.85 CYP3A4 (0.50) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL13201427 0.85 CYP3A4 (0.50) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL3889199 0.85 OPRL1 (0.51) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL19330837 0.80 OPRL1 (0.57) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL8144091 0.79 MAOA (0.66) CYP3A4HSD17B10SIGMAR1OPRL1TSHR
SCHEMBL3277953 0.79 CYP3A4 (0.50) CYP3A4HSD17B10SIGMAR1OPRL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202246-B2 Spiro-rifamycin derivatives targeting RNA polymerase CUMBRE PHARMACEUTICALS INC. (US) 2007-04-10 US disclosed
US-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria CUMBRE INC. (US) 2005-12-15 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-20050277633-A1 E.g., rifamycin S derivatives such as 2',2'-Dimethyl-3,4-piperazinorifamycin S and Spiro[N-methyl-piperidine-3,4-piperazinorifamycin S; treating bacterial infections, especially those caused by rifamycin-resistant bacteria RIF1, MAPRE1, MAPRE2 CYP3A4 1738/4885HSD17B10 4166/4885SIGMAR1 1916/4885

“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.