SCHEMBL6077640

SCHEMBL6077640

N[C@H](CC1CCCCC1)C(=O)NC(=O)[C@@H]1CCCN1Cc1ccccc1-n1cnnn1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.48
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
TSHR P16473 2/20 0.36
MC4R P32245 2/20 0.35
MC1R Q01726 2/20 0.35
MC3R P41968 1/20 0.35
MASP2 O00187 1/20 0.34
CTSD P07339 1/20 0.34
HSD11B1 P28845 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 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
SCHEMBL6078379 0.89 F2 (0.47) F2F10PRSS1TSHRMASP2
SCHEMBL7513994 0.87 F2 (0.60) F2MASP2KMT2A
SCHEMBL6078129 0.87 F2 (0.60) F2MASP2KMT2A
Hydrochloric Acid SCHEMBL6077070 0.87 F2 (0.59) F2MASP2KMT2A
SCHEMBL6079774 0.85 F2 (0.39) F2F10PRSS1TSHRCTSD
SCHEMBL6077633 0.80 F2 (0.59) F2TSHRMEN1KMT2ACYP3A4
SCHEMBL6078706 0.79 F2 (0.40) F2F10PLGPRSS1TSHR
SCHEMBL6079360 0.79 POLB (0.51) F2MEN1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL6078937 0.78 POLB (0.50) F2MEN1KMT2ASMN1; SMN2CYP2C19
Hydrochloric Acid SCHEMBL6078422 0.78 F2 (0.60) F2MASP2CYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144899-B2 Thrombin inhibitors MERCK & CO., INC. (US) 2006-12-05 US disclosed
US-20040073025-A1 Thrombin inhibitors MERCK SHARP & DOHME CORP. 2004-04-15 US disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO 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-20040073025-A1 Thrombin inhibitors F2, F11, F10 F2 1/4885F10 3/4885PLG 79/4885

“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.