SCHEMBL4808922

SCHEMBL4808922

NC1CC1c1cccc(C(F)(F)F)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.69
HTR2C P28335 5/20 0.64
HTR2A P28223 2/20 0.64
HTR2B P41595 2/20 0.64
MAOB P27338 7/20 0.58
MAOA P21397 6/20 0.55
CYP2C19 P33261 4/20 0.50
CYP2B6 P20813 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2A6 P11509 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL8233501 1.00 KDM1A (0.69) KDM1AHTR2CHTR2AHTR2BMAOB
Hydrochloric Acid SCHEMBL4496679 0.98 KDM1A (0.67) KDM1AHTR2CHTR2AHTR2BMAOB
Hydrochloric Acid SCHEMBL4496681 0.98 KDM1A (0.67) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL22086329 0.82 HTR2C (0.54) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL1524989 0.82 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL21840986 0.82 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL1524990 0.82 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL14880656 0.82 KDM1A (1.00) KDM1AMAOBMAOA
SCHEMBL25066065 0.81 KDM1A (0.55) KDM1AHTR2CHTR2AHTR2BMAOB
SCHEMBL12875675 0.81 HTR2C (0.59) KDM1AHTR2CHTR2AHTR2BHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2867226-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-14 EP claimed
US-9815819-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2017-11-14 US claimed
EP-2867226-B1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2018-11-14 EP disclosed
US-9815819-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2017-11-14 US disclosed
US-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2015-05-21 US disclosed
EP-2867226-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF Novartis AG (CH) 2015-05-06 EP disclosed
WO-2014002051-A2 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF NOVARTIS AG (CH) 2014-01-03 WO disclosed
US-7425633-B2 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-09-16 US disclosed
US-7425633-B2 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-09-16 US disclosed
US-20070082932-A1 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2007-04-12 US disclosed
US-20070082932-A1 Pyrrolidine compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2007-04-12 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-20150141455-A1 COMPLEMENT PATHWAY MODULATORS AND USES THEREOF C5, C3AR1, C9 KDM1A 4705/4885HTR2C 2131/4885HTR2A 1704/4885
US-20070082932-A1 Pyrrolidine compounds DPP4, DPP7, DPP9 KDM1A 1223/4885HTR2C 3931/4885HTR2A 3445/4885

“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.