SCHEMBL6078656

SCHEMBL6078656

NC(=O)[C@@H]1CCCN1Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.47
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GPBAR1 Q8TDU6 4/20 0.43
POLB P06746 1/20 0.43
DDR1 Q08345 2/20 0.42
CYP3A4 P08684 1/20 0.42
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
PLAT P00750 1/20 0.41
F11 P03951 1/20 0.41
KLKB1 P03952 1/20 0.41
PRSS1 P07477 1/20 0.41
F7 P08709 1/20 0.41
TBXA2R P21731 1/20 0.41
PRSS3 P35030 1/20 0.41

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
Hydrochloric Acid SCHEMBL6079141 0.99 F2 (0.46) F2TSHRMAPK1RECQLLMNA
SCHEMBL6079352 0.91 F2 (0.46) F2TSHRMAPK1RECQLLMNA
SCHEMBL6077686 0.88 MAOA (0.45) LMNAPOLBCYP3A4
SCHEMBL6079154 0.85 SCN9A (0.50) LMNAALDH1A1POLBDDR1CYP3A4
SCHEMBL6079360 0.85 POLB (0.51) F2LMNAPOLB
Hydrochloric Acid SCHEMBL6077990 0.84 SCN9A (0.49) LMNAALDH1A1POLBDDR1CYP3A4
Hydrochloric Acid SCHEMBL6078937 0.84 POLB (0.50) F2LMNAPOLB
SCHEMBL6078064 0.84 F2 (0.47) F2TSHRMAPK1RECQLGPBAR1
SCHEMBL6921701 0.82 GPBAR1 (0.45) F2GPBAR1CYP3A4F9F10
SCHEMBL6918685 0.82 MAOA (0.44) F2GPBAR1CYP3A4F9F10

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 1/4885TSHR 662/4885MAPK1 1399/4885

“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.