SCHEMBL4146115

SCHEMBL4146115

O=C1Nc2ccncc2CN1C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.55
CHRM3 P20309 9/20 0.53
CHRM2 P08172 8/20 0.53
ACHE P22303 1/20 0.52
CTSS P25774 4/20 0.48
CALCRL Q16602 2/20 0.47
PARP1 P09874 2/20 0.47
PARP2 Q9UGN5 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAMP1 O60894 1/20 0.46

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
SCHEMBL3960194 0.91 CHRM4 (0.55) CHRM4CHRM3CHRM2ACHECTSS
SCHEMBL9046543 0.86 CHRM4 (0.70) CHRM4CHRM3CHRM2ACHECTSS
SCHEMBL12873772 0.84 MAPK1 (0.43) CHRM4CTSSCALCRLPARP2
SCHEMBL3967246 0.82 CHRM4 (0.65) CHRM4CHRM3CHRM2ACHECTSS
SCHEMBL13801374 0.80 CALCRL (0.43) CTSSCALCRL
SCHEMBL3596998 0.80 CHRM4 (0.58) CHRM4CHRM3CHRM2ACHECTSS
SCHEMBL3956507 0.79 CHRM4 (0.52) CHRM4CHRM3CHRM2ACHEPARP1
SCHEMBL2317295 0.78 CHRM4 (0.57) CHRM4CHRM3CHRM2ACHECYP3A4
SCHEMBL5088985 0.78 CHRM4 (0.58) CHRM4CHRM3CHRM2ACHECTSS
SCHEMBL2980917 0.78 CTSS (0.57) CHRM4CHRM3CHRM2ACHECTSS

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 7 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
EP-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP 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 (3 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 CHRM4 20/4885CHRM3 30/4885CHRM2 6/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS CHRM4 27/4885CHRM3 46/4885CHRM2 20/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 CHRM4 27/4885CHRM3 49/4885CHRM2 17/4885

“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.