SCHEMBL2994776

SCHEMBL2994776

O=C(NC1CCC(C(=O)NCCN2CCCCC2)CC1)c1ccc(-c2cccc(F)c2)nc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.63
MAP4K4 O95819 3/20 0.45
EPHX2 P34913 1/20 0.45
GABRA5 P31644 2/20 0.44
HTR7 P34969 1/20 0.44
GRM5 P41594 1/20 0.44
BMPR1B O00238 1/20 0.44
BMPR1A P36894 1/20 0.44
TGFBR1 P36897 1/20 0.44
ACVRL1 P37023 1/20 0.44
ACVR1 Q04771 1/20 0.44
MLLT1 Q03111 1/20 0.43
ADORA2B P29275 1/20 0.43
PDE4B Q07343 1/20 0.43
JAK1 P23458 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
SCHEMBL2994773 1.00 HPGDS (0.63) HPGDSMAP4K4EPHX2GABRA5HTR7
SCHEMBL16495625 0.86 HPGDS (0.59) HPGDSMAP4K4
SCHEMBL2986273 0.86 HPGDS (0.61) HPGDSMAP4K4GABRA5GRM5
SCHEMBL16496048 0.85 HPGDS (0.60) HPGDSMAP4K4
SCHEMBL2985636 0.84 HPGDS (0.66) HPGDSMAP4K4GABRA5GRM5
SCHEMBL2994529 0.84 HPGDS (0.66) HPGDSMAP4K4GABRA5GRM5
SCHEMBL2985631 0.84 HPGDS (0.66) HPGDSMAP4K4GABRA5GRM5
SCHEMBL2994880 0.84 HPGDS (0.63) HPGDSMAP4K4EPHX2GABRA5GRM5
SCHEMBL3210248 0.84 HPGDS (0.63) HPGDSMAP4K4EPHX2GABRA5GRM5
SCHEMBL2994885 0.84 HPGDS (0.63) HPGDSMAP4K4EPHX2GABRA5GRM5

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885MAP4K4 2268/4885EPHX2 2455/4885

“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.