SCHEMBL2065075

SCHEMBL2065075

CCC(C(=O)O)N1C(=O)N(c2ccccn2)C(=O)C1(C)c1cc(F)cc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRM4 Q14833 3/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
POLB P06746 2/20 0.32
CYP1A2 P05177 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
DRD4 P21917 3/20 0.31
DRD2 P14416 2/20 0.31
CALCRL Q16602 1/20 0.31

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
SCHEMBL2065569 0.81 P2RX7 (0.36) P2RX7SMN1; SMN2RXFP1GRM4APP
SCHEMBL4350278 0.78 SMN1; SMN2 (0.37) P2RX7SMN1; SMN2RXFP1GRM4TSHR
SCHEMBL10247680 0.69 SMN1; SMN2 (0.44) SMN1; SMN2TSHRAPPBACE1POLB
SCHEMBL2065230 0.69 HCAR3 (0.36) POLB
SCHEMBL2065788 0.69 CMA1 (0.42) SMN1; SMN2RXFP1HSD17B10ALDH1A1MEN1
SCHEMBL4777626 0.59 CYP1A2 (0.46) SMN1; SMN2TSHRHSD17B10POLBCYP1A2
SCHEMBL2066205 0.58 PTGDR2 (0.37) KMT2A
SCHEMBL16865438 0.57 ELANE (0.46) SMN1; SMN2POLBCYP1A2ALDH1A1MEN1
SCHEMBL10438506 0.57 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10POLBCYP1A2ALDH1A1
SCHEMBL512864 0.57 ALDH1A1 (0.68) HSD17B10POLBALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8148390-B2 Monocyclic anilide spirolactam CGRP receptor antagonists Merck, Sharp & Dohme, Corp. (US) 2012-04-03 US disclosed
US-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2010-06-17 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-20100152216-A1 MONOCYCLIC ANILIDE SPIROLACTAM CGRP RECEPTOR ANTAGONISTS BDKRB1, BDKRB2, CALCRL P2RX7 158/4885SMN1; SMN2 3944/4885RXFP1 241/4885

“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.