SCHEMBL6078060

SCHEMBL6078060

O=C(NCc1cc(Cl)ccc1-n1cncn1)[C@@H]1CCCN1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.49
HTR2C P28335 3/20 0.48
F10 P00742 2/20 0.43
PLAT P00750 2/20 0.43
PRSS1 P07477 2/20 0.43
PRSS2 P07478 2/20 0.43
PRSS3 P35030 2/20 0.43
HTR2B P41595 1/20 0.41
GID4 Q8IVV7 1/20 0.41
MASP2 O00187 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CCR4 P51679 2/20 0.39
F11 P03951 1/20 0.39

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
SCHEMBL6077591 0.88 HTR2C (0.46) F2HTR2CHTR2BGID4KDM4E
SCHEMBL6920702 0.85 F2 (0.43) F2HTR2CF10PLATPRSS1
SCHEMBL6077558 0.84 F2 (0.59) F2HTR2CF10PLATPRSS1
SCHEMBL7520043 0.84 F2 (0.59) F2HTR2CF10PLATPRSS1
Hydrochloric Acid SCHEMBL6079137 0.83 F2 (0.59) F2HTR2CF10PLATPRSS1
SCHEMBL6920326 0.83 F2 (0.43) F2F10PLATPRSS1PRSS2
SCHEMBL6920320 0.83 F2 (0.43) F2F10PLATPRSS1PRSS2
SCHEMBL6914966 0.83 F2 (0.46) F2F10PLATPRSS1PRSS3
Hydrochloric Acid SCHEMBL6919400 0.83 F2 (0.48) F2MASP2MEN1KMT2A
SCHEMBL6914976 0.83 F2 (0.46) F2F10PLATPRSS1PRSS3

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 1/4885HTR2C 2150/4885F10 3/4885

“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.