SCHEMBL9897558

SCHEMBL9897558

C[C@H]1C[C@H](OCc2ccccc2)C[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSK P43235 1/20 0.44
OPRM1 P35372 2/20 0.43
OPRL1 P41146 2/20 0.43
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
NAAA Q02083 2/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
BCHE P06276 1/20 0.41
SLC18A3 Q16572 2/20 0.41

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
SCHEMBL9897130 1.00 MAPT (0.46) MAPTCTSLCTSBCTSKOPRM1
SCHEMBL9897127 1.00 MAPT (0.46) MAPTCTSLCTSBCTSKOPRM1
SCHEMBL2413105 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743121 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL8427873 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743122 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2413107 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL743123 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL2410089 0.88 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1
SCHEMBL989536 0.80 CTSL (0.50) CTSLCTSBCTSKOPRM1OPRL1

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
US-9376442-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2016-06-28 US disclosed
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES ASTRAZENECA AB (SE) 2015-03-12 US disclosed
US-8927557-B2 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2015-01-06 US disclosed
EP-2470536-B1 Methylpyrrolopyrimidinecarboxamides TAKEDA GMBH (DE) 2014-11-12 EP disclosed
EP-2470536-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES Nycomed GmbH (DE) 2012-07-04 EP disclosed
US-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2012-06-14 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 (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-20120149721-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE12, PDE4A MAPT 4595/4885CTSL 2367/4885CTSB 3259/4885
US-20150073001-A1 METHYLPYRROLOPYRIMIDINECARBOXAMIDES PDE12, PDE5A, PDE4A MAPT 4854/4885CTSL 1378/4885CTSB 2797/4885

“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.