SCHEMBL6079360

SCHEMBL6079360

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
F2 P00734 2/20 0.47
SCN3A Q9NY46 1/20 0.46
LMNA P02545 1/20 0.45
SPHK1 Q9NYA1 1/20 0.43
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38

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 SCHEMBL6078937 0.99 POLB (0.50) POLBF2SCN3ALMNASPHK1
SCHEMBL6078656 0.85 F2 (0.47) POLBF2LMNA
SCHEMBL6077686 0.85 MAOA (0.45) POLBSCN3ALMNASPHK1CYP2C19
Hydrochloric Acid SCHEMBL6079141 0.84 F2 (0.46) POLBF2LMNA
SCHEMBL6079154 0.83 SCN9A (0.50) POLBLMNACYP2C19SMN1; SMN2CYP1A2
Hydrochloric Acid SCHEMBL6077990 0.82 SCN9A (0.49) POLBLMNACYP2C19SMN1; SMN2CYP1A2
SCHEMBL7513994 0.80 F2 (0.60) F2KMT2A
SCHEMBL6078129 0.80 F2 (0.60) F2KMT2A
SCHEMBL6077640 0.79 F2 (0.48) F2LMNACYP2C19SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6077070 0.79 F2 (0.59) F2KMT2A

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 2 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

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 POLB 2995/4885F2 1/4885SCN3A 2929/4885

“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.