SCHEMBL6632699

SCHEMBL6632699

[CH2]C(OC)c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 2/20 0.43
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CYP17A1 P05093 2/20 0.38
CYP19A1 P11511 3/20 0.37
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL27238 0.75 KMT2A (0.41) KMT2ACYP2D6LMNA
SCHEMBL7327576 0.75 KMT2A (0.41) KMT2ACYP2D6LMNA
SCHEMBL2646405 0.75 CYP3A4 (0.46) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL6629617 0.74 CFTR (0.48) SLC6A2SLC6A4SLC6A3CYP19A1GAA
SCHEMBL12784512 0.73 SLC6A2 (0.46) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL9129250 0.73 SLC6A2 (0.46) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL17011305 0.73 SLC6A2 (0.46) CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL183928 0.72
SCHEMBL16798444 0.71 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3CYP19A1MEN1
SCHEMBL4196376 0.71 AOC3 (0.44) CYP2C19SLC6A2SLC6A4SLC6A3CYP17A1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100360580-C Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds AVENTIS PHARM PROD INC (US) 2008-01-09 CN disclosed
CN-1769318-A Polymeric resin compounds and their preparation AVENTIS PHARM PROD INC (US) 2006-05-10 CN disclosed
CN-1754899-A Process for the solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds AVENTIS PHARM PROD INC (US) 2006-04-05 CN disclosed
CN-1238323-C Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid compounds AVENTIS PHARMA INC (US) 2006-01-25 CN disclosed
CN-1235925-C Solid phase synthesing method of aldehyde, ketonic, oxime amine and isohydroximic acid compound AVENTIS MEDICINE CORP (US) 2006-01-11 CN disclosed
CN-1185259-C Fluorophenyl resin compounds AVENTIES PHARMACEUTICALS INC (US) 2005-01-19 CN disclosed
CN-1173946-C Method for preparing an N-[(aliphatic or aromatic) carbonyl]-2-aminoacetamide compound and a cyclyzed compound ���µ�˹ҩ�﹫˾ 2004-11-03 CN disclosed
CN-1173938-C Alpha-substitution of unprotected beta-amino ester compounds ���µ�˹ҩ�﹫˾ 2004-11-03 CN disclosed
CN-1500769-A Process for the solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid compounds ���µ�˹ҩ�﹫˾ 2004-06-02 CN disclosed
CN-1496999-A Solid phase synthesing method of aldehyde, ketonic, oxime amine and isohydroximic acid compound ���µ�˹ҩ�﹫˾ 2004-05-19 CN disclosed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 WO disclosed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 US disclosed
CN-1334799-A Alpha-substitution of unprotected beta-amino ester compounds AVENTIS PHARM PROD INC (US) 2002-02-06 CN disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 WO disclosed
CN-1307553-A Solid phase synthesis of aldehyde, ketone, oxime, amine, hydroxamic acid and alpha, beta-unsaturated carboxylic acid and aldehyde compounds AVANTIES MEDICINE PRODUCT CO (US) 2001-08-08 CN disclosed
CN-1306524-A Fluorophenyl resin compounds AVENTIES PHARMACEUTICALS INC (US) 2001-08-01 CN disclosed
CN-1289324-A Method for preparing an N-[(aliphatic or aromatic) carbonyl]-2-aminoacetamide compound and a cyclyzed compound AVENTIS PHARMA INC (US) 2001-03-28 CN disclosed
CN-1240418-A Solid phase synthesis of aldehydes, ketones, oximes, amines and hydroxamic acid compounds RHONE POULENC RORER PHARMA (US) 2000-01-05 CN 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 CYP3A4 1294/4885CYP2C19 1255/4885SLC6A2 2830/4885
US-20020032221-A1 Pyrrole derivatives PYCR1, SARS1, MAVS CYP3A4 433/4885CYP2C19 1064/4885SLC6A2 4843/4885

“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.