SCHEMBL7635635

SCHEMBL7635635

CCC(C)(C)NC(Nc1ccc2c(c1)OCO2)=C(C#N)C(=O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
HTT P42858 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL7635626 1.00 RAB9A (0.46) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL7630186 0.81 MAPT (0.44) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL7630182 0.81 MAPT (0.44) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL4259969 0.81 MAPT (0.44) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL7639079 0.78 NPC1 (0.49) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL7639084 0.78 NPC1 (0.49) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL7632826 0.76 MAPT (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL7632816 0.76 MAPT (0.46) RAB9ANPC1CYP1A2CYP3A4CYP2D6
SCHEMBL8809159 0.73 POLB (0.54) RAB9ANPC1HTTCYP1A2CYP3A4
SCHEMBL8810370 0.73 POLB (0.54) RAB9ANPC1HTTCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365609-B1 MODULATORS FOR ATP-REGULATED POTASSIUM CHANNELS; TREATING DIABETES OR HYPERINSULINEMIA NOVO NORDISK A/S (DK) 2002-04-02 US claimed
US-6362205-B2 FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR SYSTEM DISORDERS, PULMONARY SYSTEM DISORDERS, GASTROINTESTINAL SYSTEM DISORDERS, AND ENDOCRINOLOGIC SYSTEM DISORDERS NOVO NORDISK A/S (DK) 2002-03-26 US claimed
US-6365609-B1 MODULATORS FOR ATP-REGULATED POTASSIUM CHANNELS; TREATING DIABETES OR HYPERINSULINEMIA NOVO NORDISK A/S (DK) 2002-04-02 US disclosed
US-6362205-B2 FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS, CARDIOVASCULAR SYSTEM DISORDERS, PULMONARY SYSTEM DISORDERS, GASTROINTESTINAL SYSTEM DISORDERS, AND ENDOCRINOLOGIC SYSTEM DISORDERS NOVO NORDISK A/S (DK) 2002-03-26 US disclosed
US-20010056188-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-12-27 US disclosed
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use HANSEN JOHN BONDO (DK) 2001-09-27 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-20010056188-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use TNNI3, PCCA, NPR3 RAB9A 3761/4885NPC1 3348/4885HTT 1895/4885
US-20010025111-A1 Substituted 3,3-diamino-2-propenenitriles, their preparation and use NPR3, NPR1, PKD1 RAB9A 3077/4885NPC1 2952/4885HTT 3377/4885

“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.