SCHEMBL6076574

SCHEMBL6076574

CC1(C(=O)N2CCC[C@H]2C(N)=O)CCN1Cc1cc(Cl)ccc1-n1cnnn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.50
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GPBAR1 Q8TDU6 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
F11 P03951 1/20 0.36

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
SCHEMBL6078656 0.81 F2 (0.47) F2ALDH1A1LMNAGPBAR1CYP3A4
SCHEMBL6079352 0.80 F2 (0.46) F2ALDH1A1LMNAGPBAR1MEN1
Hydrochloric Acid SCHEMBL6079141 0.80 F2 (0.46) F2ALDH1A1LMNAGPBAR1CYP3A4
SCHEMBL6076566 0.76 F2 (0.65) F2ALDH1A1LMNACYP3A4F11
SCHEMBL6078072 0.74 F2 (0.60) F2ALDH1A1LMNACYP3A4F11
SCHEMBL6079238 0.74 F2 (0.51) F2ALDH1A1LMNACYP3A4F11
SCHEMBL1837913 0.72 F2 (0.43) F2CYP3A4F11
SCHEMBL6921701 0.72 GPBAR1 (0.45) F2GPBAR1CYP3A4F11
SCHEMBL6918685 0.70 MAOA (0.44) F2GPBAR1CYP3A4F11
SCHEMBL6078117 0.70 F2 (0.45) F2ALDH1A1LMNACYP3A4F11

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 5 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
EP-1235550-A2 NEW COLOURING COMBINATION Henkel Kommanditgesellschaft auf Aktien (DE) 2002-09-04 EP disclosed
WO-2002064559-A2 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2002-08-22 WO disclosed
WO-2001041717-A2 NEW COLOURING COMBINATION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-06-14 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 1/4885ALDH1A1 2954/4885LMNA 1769/4885

“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.