SCHEMBL3596835

SCHEMBL3596835

NCC1CCC2(CCC2)CC1

nearest known ligand 0.86

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.37
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
CYP2D6 P10635 1/20 0.32

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
Hydrochloric Acid SCHEMBL3600925 0.97 NCF1 (0.36) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL10019499 0.92 NCF1 (0.36) NCF1CYP3A4CYP2C9CYP2C19PLG
Hydrochloric Acid SCHEMBL515148 0.90 NCF1 (0.34) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL14669119 0.89 NCF1 (0.40) NCF1CYP3A4CYP2C9CYP2C19PLG
Hydrochloric Acid SCHEMBL3589807 0.86 NCF1 (0.39) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL14669113 0.76
SCHEMBL18771120 0.76 NCF1 (0.33) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL24718749 0.75 CYP3A4 (0.37) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL1700702 0.75 CYP3A4 (0.37) NCF1CYP3A4CYP2C9CYP2C19PLG
SCHEMBL3599242 0.74 APLNR (0.35) CYP3A4CYP2C9CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 EP claimed
US-9468661-B2 Pyrrolidine derivatives and their use as complement pathway modulators NOVARTIS AG (CH) 2016-10-18 US claimed
US-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2015-07-09 US claimed
EP-2867225-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS Novartis AG (CH) 2015-05-06 EP claimed
WO-2014002054-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2014-01-03 WO claimed
EP-2867225-B1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2017-08-09 EP disclosed
US-9468661-B2 Pyrrolidine derivatives and their use as complement pathway modulators NOVARTIS AG (CH) 2016-10-18 US disclosed
US-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2015-07-09 US disclosed
EP-2867225-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS Novartis AG (CH) 2015-05-06 EP disclosed
WO-2014002054-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS NOVARTIS AG (CH) 2014-01-03 WO disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
EP-1781623-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS Novartis AG (CH) 2007-05-09 EP disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 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-20150190457-A1 PYRROLIDINE DERIVATIVES AND THEIR USE AS COMPLEMENT PATHWAY MODULATORS C5, C9, TFPI NCF1 2506/4885CYP3A4 946/4885CYP2C9 1249/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF NCF1 305/4885CYP3A4 2233/4885CYP2C9 1966/4885

“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.