SCHEMBL6097751

SCHEMBL6097751

C[C@H]1CCCN1C(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.51
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
DPP4 P27487 3/20 0.43
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
EPHX2 P34913 1/20 0.38
KMT2A Q03164 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
PREP P48147 1/20 0.37
FAP Q12884 1/20 0.37

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
SCHEMBL12783344 1.00 RIPK1 (0.51) RIPK1LMNAHPGDGAADPP4
SCHEMBL19400524 1.00 RIPK1 (0.51) RIPK1LMNAHPGDGAADPP4
SCHEMBL20469386 0.94 HPGD (0.53) RIPK1LMNAHPGDGAASMN1; SMN2
SCHEMBL21137551 0.94 HPGD (0.53) RIPK1LMNAHPGDGAASMN1; SMN2
SCHEMBL5613392 0.94 HPGD (0.53) RIPK1LMNAHPGDGAASMN1; SMN2
SCHEMBL20469340 0.87 RIPK1 (0.49) RIPK1LMNAHPGDGAADPP4
SCHEMBL20469339 0.87 RIPK1 (0.49) RIPK1LMNAHPGDGAADPP4
SCHEMBL15934326 0.82 HPGD (0.42) RIPK1LMNAHPGDGAADPP4
SCHEMBL12058714 0.82 HPGD (0.44) LMNAHPGDGAADPP4CYP2C19
SCHEMBL21349768 0.80 RIPK1 (0.40) RIPK1LMNAHPGDGAACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 US claimed
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 EP claimed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 US claimed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO claimed
US-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds NEUROGEN CORPORATION 2008-06-19 US disclosed
US-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds NEUROGEN CORPORATION 2008-06-19 US disclosed
US-7326709-B2 Bicyclic and tricyclic heteroaromatic compounds NEUROGEN CORPORATION (US) 2008-02-05 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 (2 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 RIPK1 2949/4885LMNA 75/4885HPGD 1337/4885
US-20080146546-A1 Bicyclic and Tricyclic Heteroaromatic Compounds GABBR1, GABBR2, GABRA4 RIPK1 4716/4885LMNA 2470/4885HPGD 1524/4885

“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.