SCHEMBL3773176

SCHEMBL3773176

CC(C)(C)N(CC1(CNc2cnc(Cl)c(-c3ccc(C#N)cc3)c2)CC1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.38
AR P10275 2/20 0.35
P2RX7 Q99572 1/20 0.35
KDM1A O60341 1/20 0.35
SLC22A12 Q96S37 3/20 0.34
HCRTR1 O43613 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
SCHEMBL3771958 0.90 MAP4K4 (0.35) EGLN1SLC22A12
SCHEMBL3770604 0.88 FFAR4 (0.33) SLC22A12
SCHEMBL3152373 0.83 EGLN1 (0.41) EGLN1ARP2RX7KDM1A
SCHEMBL3152381 0.81 AR (0.38) EGLN1ARP2RX7KDM1ASLC22A12
SCHEMBL3765795 0.79 ALDH1A1 (0.31)
SCHEMBL3773171 0.78 AR (0.38) EGLN1ARP2RX7KDM1ASLC22A12
SCHEMBL3843144 0.78 ABL1 (0.34) SLC22A12
SCHEMBL3146047 0.76 KDM1A (0.40) EGLN1ARP2RX7KDM1AHCRTR1
Hydrochloric Acid SCHEMBL3774537 0.75 KDM1A (0.39) EGLN1ARP2RX7KDM1AHCRTR1
SCHEMBL3780227 0.74 EGLN1 (0.38) EGLN1KDM1ASLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them LES LABORATOIRES SERVIER (FR) 2010-12-16 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-20100317698-A1 Polysubstituted Pyridinylaminoalkylene- and Pyridinyloxyalkylene-Cyclopropanamine Compounds, a Process for Their Preparation and Pharmaceutical Compositions Containing Them CHRNA6, CHRNE, CHRNG EGLN1 3487/4885AR 222/4885P2RX7 195/4885

“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.