SCHEMBL2755972

SCHEMBL2755972

Cc1ccc(C2C[C@@H]2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
CYP3A4 P08684 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
FFAR1 O14842 1/20 0.39
FBP1 P09467 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL17718447 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ACHEHSD17B10HTR2A
SCHEMBL27233654 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2ACHEHSD17B10HTR2A
SCHEMBL2655142 0.81 KDM1A (0.48) HTR2AHTR2CHTR2BFBP1SLC6A2
SCHEMBL12242256 0.81 KDM1A (0.48) HTR2CHTR2BCYP2C9CYP2C19
SCHEMBL12860014 0.81 KDM1A (0.48) HTR2CHTR2BCYP2C9CYP2C19
SCHEMBL1524088 0.81 KDM1A (0.48) HTR2CHTR2BCYP2C9CYP2C19
SCHEMBL1524090 0.81 KDM1A (0.48) HTR2CHTR2BCYP2C9CYP2C19
SCHEMBL6940485 0.80 MAOB (0.45) ALDH1A1SMN1; SMN2HSD17B10HTR2AHTR2C
SCHEMBL12242249 0.80 MAOB (0.45) ALDH1A1SMN1; SMN2HSD17B10HTR2AHTR2C
SCHEMBL28135209 0.80 MAOB (0.45) ALDH1A1SMN1; SMN2HSD17B10HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160045456-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS S.A. (ES) 2016-02-18 US disclosed
US-20150368186-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. 2015-12-24 US disclosed
US-9149447-B2 Lysine specific demethylase-1 inhibitors and their use ORYZON GENOMICS S.A. (ES) 2015-10-06 US disclosed
US-8993808-B2 Phenylcyclopropylamine derivatives and their medical use ORYZON GENOMICS, S.A. (ES) 2015-03-31 US disclosed
US-8859555-B2 Lysine Specific Demethylase-1 inhibitors and their use ORYZON GENOMICS S.A. (ES) 2014-10-14 US disclosed
US-20140213657-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2014-07-31 US disclosed
US-8722743-B2 Lysine specific demethylase-1 inhibitors and their use ORYZON GENOMICS S.A. (ES) 2014-05-13 US disclosed
US-8524717-B2 Oxidase inhibitors and their use ORYZON GENOMICS, S.A. (ES) 2013-09-03 US disclosed
US-20130090386-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. 2013-04-11 US disclosed
US-20120283266-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE ORYZON GENOMICS S.A. (ES) 2012-11-08 US disclosed
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE ORYZON GENOMICS, S.A. (ES) 2012-01-05 US disclosed
US-20110263604-A1 Oxidase inhibitors and their use ORYZON GENOMICS, S.A. (ES) 2011-10-27 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 (7 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-20110263604-A1 Oxidase inhibitors and their use MAOA, PNPO, MAOB ALDH1A1 127/4885SMN1; SMN2 2782/4885ACHE 251/4885
US-20120283266-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE JMJD6, KDM3A, KDM1A ALDH1A1 502/4885SMN1; SMN2 4326/4885ACHE 2390/4885
US-20150368186-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE KDM1A, KDM1B, KDM3A ALDH1A1 256/4885SMN1; SMN2 4137/4885ACHE 2596/4885
US-20130090386-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE KDM1A, KDM1B, KDM3A ALDH1A1 255/4885SMN1; SMN2 4142/4885ACHE 2594/4885
US-20140213657-A1 LYSINE SPECIFIC DEMETHYLASE-1 INHIBITORS AND THEIR USE KDM1A, KDM1B, KDM3A ALDH1A1 236/4885SMN1; SMN2 4159/4885ACHE 2543/4885
US-20120004262-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA ALDH1A1 1344/4885SMN1; SMN2 158/4885ACHE 86/4885
US-20160045456-A1 PHENYLCYCLOPROPYLAMINE DERIVATIVES AND THEIR MEDICAL USE PNMT, ABCB1, SNCA ALDH1A1 1344/4885SMN1; SMN2 158/4885ACHE 86/4885

“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.