SCHEMBL6895307

SCHEMBL6895307

CC(C)(C)OC(=O)N1CCN(C[C@H]2CC[C@H](C#N)CC2)C(=O)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RX7 Q99572 2/20 0.40
FPR2 P25090 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
GPR119 Q8TDV5 5/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 2/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 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
SCHEMBL6895303 1.00 MAPT (0.41) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL1583284 0.91 P2RX7 (0.46) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL31571027 0.86 P2RX7 (0.47) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL1584560 0.86 P2RX7 (0.47) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL29980296 0.84 P2RX7 (0.48) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL25202856 0.82 DDB1 (0.41) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL15000449 0.82 USP2 (0.47) MAPTALDH1A1P2RX7FPR2DDB1
Heptane SCHEMBL31571107 0.80 P2RX7 (0.42) MAPTMEN1ALDH1A1KMT2AP2RX7
SCHEMBL28437919 0.79 NR1H2 (0.43) MAPTALDH1A1DDB1CRBNGPR119
SCHEMBL4392562 0.79 ALDH1A1 (0.43) MAPTMEN1ALDH1A1KMT2ADDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP 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-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 MAPT 4851/4885MEN1 473/4885ALDH1A1 2304/4885

“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.