SCHEMBL2454545

SCHEMBL2454545

O=C(n1ccnc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.46
CYP11B2 P19099 3/20 0.46
CYP24A1 Q07973 1/20 0.43
FAAH O00519 2/20 0.43
MGLL Q99685 2/20 0.43
CYP3A4 P08684 2/20 0.38
LMNA P02545 2/20 0.38
CYP19A1 P11511 2/20 0.38
CYP2C9 P11712 2/20 0.38
MEN1 O00255 1/20 0.38
SLC22A1 O15245 1/20 0.38
KCNN4 O15554 1/20 0.38
NR1I2 O75469 1/20 0.38
GMNN O75496 1/20 0.38
USP2 O75604 1/20 0.38
TRPM2 O94759 1/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
CA2 P00918 1/20 0.38
NR3C1 P04150 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
SCHEMBL10563018 0.84 CYP17A1 (0.43) CYP11B1CYP11B2CYP3A4CYP19A1CYP2C9
SCHEMBL421967 0.77 KEAP1 (0.56) CYP3A4CYP1A2CHRM2CYP2D6CHRM1
SCHEMBL1424751 0.72 CYP19A1 (0.47) CYP24A1FAAHMGLLCYP3A4CYP19A1
SCHEMBL10405171 0.71 CYP24A1 (0.44) CYP11B1CYP11B2CYP24A1FAAHMGLL
SCHEMBL10405169 0.71 CYP24A1 (0.44) CYP11B1CYP11B2CYP24A1FAAHMGLL
SCHEMBL30366356 0.69 FAAH (0.44) CYP24A1FAAHMGLLCYP3A4LMNA
SCHEMBL28098359 0.69 FAAH (0.48) CYP24A1FAAHMGLLCYP3A4CYP19A1
SCHEMBL22590608 0.69 CYP19A1 (0.42) CYP24A1FAAHMGLLLMNACYP19A1
SCHEMBL11883684 0.69 CYP11B1 (0.57) CYP11B1CYP11B2CYP24A1CYP3A4LMNA
SCHEMBL5314422 0.69 ALDH1A1 (0.36) CYP24A1FAAHMGLLLMNACYP19A1

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
WO-2011116491-A1 PREPARATION METHOD FOR NORTROPINE BENZILATE AND ITS SALTS AND INTERMEDIATES USED IN SAID METHOD 北京世纪迈劲生物科技有限公司 (CN) 2011-09-29 WO disclosed
US-20100048903-A1 Method For Producing Azoniaspironortropine Esters And Nortropan-3-One Compounds K.H.S. PHARMA HOLDING GMBH (DE) 2010-02-25 US disclosed
US-20100048903-A1 Method For Producing Azoniaspironortropine Esters And Nortropan-3-One Compounds K.H.S. PHARMA HOLDING GMBH (DE) 2010-02-25 US disclosed
WO-2008101728-A1 METHOD FOR PRODUCING AZONIASPIRONORTROPINE ESTERS AND NORTROPAN-3-ONE COMPOUNDS K.H.S. PHARMA HOLDING GMBH (DE) 2008-08-28 WO disclosed
US-4855422-A Process for the preparation of azoniaspironortropanol esters MADAUS GMBH & CO. (DE) 1989-08-08 US disclosed
US-4549021-A N-(β-Fluoroethyl)-nortropine BOEHRINGER INGELHEIM KG (DE) 1985-10-22 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-20100048903-A1 Method For Producing Azoniaspironortropine Esters And Nortropan-3-One Compounds THOP1, NTSR1, NTSR2 CYP11B1 43/4885CYP11B2 29/4885CYP24A1 106/4885

“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.