SCHEMBL3960105

SCHEMBL3960105

O=c1[nH]c2ccccc2c(=O)n1C1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 4/20 0.49
LMNA P02545 2/20 0.49
ALOX12 P18054 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
CA12 O43570 1/20 0.49
RNASEH1 O60930 1/20 0.49
ERCC1 P07992 1/20 0.49
ERCC5 P28715 1/20 0.49
FEN1 P39748 1/20 0.49

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
SCHEMBL14417155 0.92 CHRM1 (0.56) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30858360 0.91 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6243579 0.91 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6982576 0.86 CHRM2 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL10288920 0.85 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL791221 0.84 ALDH1A1 (0.75) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7008960 0.84 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL44492 0.81 CHRM1 (0.63) CYP2C9CHRM2CHRM4CHRM1CHRM3
SCHEMBL29467164 0.81 CHRM1 (0.63) CYP2C9CHRM2CHRM4CHRM1CHRM3
SCHEMBL13801259 0.81 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-09-06 US disclosed
US-7230001-B1 Arylalkane, arylalkene and aryl azaalkane, medicaments containing said compounds and method for the production thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-12 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 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 (5 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-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS ALDH1A1 2929/4885SMN1; SMN2 1400/4885MEN1 596/4885
US-20070208036-A1 Arylalkanes, arylalkenes and aryl-azaalkanes, pharmaceutical compositions containing these compounds and processes for preparing them ARRB1, NPY1R, ADRB3 ALDH1A1 425/4885SMN1; SMN2 3515/4885MEN1 1691/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ALDH1A1 2196/4885SMN1; SMN2 1689/4885MEN1 790/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS ALDH1A1 1704/4885SMN1; SMN2 1673/4885MEN1 984/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 ALDH1A1 2196/4885SMN1; SMN2 1689/4885MEN1 790/4885

“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.