SCHEMBL3466744

SCHEMBL3466744

CC[C@H](N)c1cnn(C)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.37
IDO1 P14902 1/20 0.35
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LRRK2 Q5S007 1/20 0.30
PRKD3 O94806 2/20 0.30
PRKD1 Q15139 2/20 0.30
PRKD2 Q9BZL6 2/20 0.30
MPO P05164 1/20 0.30

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
SCHEMBL17018452 1.00 SLC6A4 (0.37) SLC6A4IDO1OPRM1ALDH1A1HTT
Hydrochloric Acid SCHEMBL27164845 0.98 SLC6A4 (0.36) SLC6A4IDO1OPRM1ALDH1A1HTT
SCHEMBL16447921 0.84 IDO1 (0.32) IDO1OPRM1ALDH1A1HTTSMN1; SMN2
SCHEMBL18793288 0.82 SMN1; SMN2 (0.34) IDO1OPRM1ALDH1A1HTTSMN1; SMN2
SCHEMBL21164273 0.79 ALDH1A1 (0.33) IDO1OPRM1ALDH1A1HTTSMN1; SMN2
SCHEMBL24919732 0.78 ALDH1A1 (0.36) IDO1OPRM1ALDH1A1HTTSMN1; SMN2
SCHEMBL15304182 0.78 ALDH1A1 (0.36) IDO1OPRM1ALDH1A1HTTSMN1; SMN2
SCHEMBL2303823 0.77
SCHEMBL28802900 0.77
Hydrochloric Acid SCHEMBL28803076 0.75 HRH3 (0.33) IDO1ALDH1A1HTTSMN1; SMN2L3MBTL1

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 4 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

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 SLC6A4 4396/4885IDO1 166/4885OPRM1 1500/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 SLC6A4 4328/4885IDO1 55/4885OPRM1 1830/4885

“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.