SCHEMBL9969472

SCHEMBL9969472

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
PYCR1 P32322 1/20 0.45
KCNH2 Q12809 2/20 0.45
KCNJ1 P48048 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL19941501 0.82 LOXL2 (0.49) CRHBPCRHR2LOXL2PYCR1KCNH2
SCHEMBL2011354 0.81 TSHR (0.51) PYCR1MEN1KMT2ATSHRCYP1A2
SCHEMBL2010842 0.81 TSHR (0.51) PYCR1MEN1KMT2ATSHRCYP1A2
SCHEMBL10601188 0.81 LOXL2 (0.50) CRHBPCRHR2LOXL2KCNH2KCNJ1
SCHEMBL16788793 0.80 CRHBP (0.43) CRHBPCRHR2LOXL2PYCR1KCNH2
SCHEMBL9971478 0.80 CRHBP (0.43) CRHBPCRHR2LOXL2PYCR1KCNH2
SCHEMBL9969478 0.79 LOXL2 (0.48) LOXL2KCNH2KCNJ1MEN1KMT2A
SCHEMBL19938068 0.79 TSHR (0.55) LOXL2KCNH2KCNJ1MEN1KMT2A
SCHEMBL9969481 0.79 LOXL2 (0.48) LOXL2KCNH2KCNJ1MEN1KMT2A
SCHEMBL18118460 0.79 TSHR (0.55) LOXL2KCNH2KCNJ1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2018-03-08 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8841263-B2 Macrocyclic compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2014-09-23 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same BioVersys AG (CH) 2008-02-21 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-20080045585-A1 Macrocyclic Compounds And Methods Of Making And Using The Same VIP, PROKR1, PGC CRHBP 789/4885CRHR2 444/4885LOXL2 4004/4885
US-20180066007-A1 Macrocyclic Compounds And Methods Of Making And Using The Same CCNO, PTGDR, CCNE1 CRHBP 2044/4885CRHR2 292/4885LOXL2 4490/4885

“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.