SCHEMBL3131672

SCHEMBL3131672

NCc1cnc(N2CCOCC2)s1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
GAA P10253 4/20 0.56
LMNA P02545 1/20 0.53
OGA O60502 2/20 0.46
MAPT P10636 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
PKM P14618 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.40
PDE2A O00408 1/20 0.39
POLB P06746 1/20 0.39
ALOX15 P16050 1/20 0.39

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
Hydrochloric Acid SCHEMBL18641410 0.98 SMN1; SMN2 (0.55) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL18291769 0.83 SMN1; SMN2 (0.56) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL27596595 0.83 SMN1; SMN2 (0.56) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL10272312 0.83 SMN1; SMN2 (0.56) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL30212327 0.83 SMN1; SMN2 (0.56) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL18641473 0.81 TDP1 (0.55) SMN1; SMN2GAALMNAOGATDP1
Hydrochloric Acid SCHEMBL18641362 0.80 TDP1 (0.54) SMN1; SMN2GAALMNAOGATDP1
SCHEMBL23018564 0.79 GAA (0.52) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL18667317 0.79 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNAOGAMAPT
SCHEMBL12157023 0.79 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNAOGAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
WO-2010036632-A1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 SMN1; SMN2 1172/4885GAA 3761/4885LMNA 4848/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 SMN1; SMN2 411/4885GAA 4085/4885LMNA 3632/4885

“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.