SCHEMBL4136184

SCHEMBL4136184

CCc1cnc(C)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.49
SLC6A4 P31645 13/20 0.49
SLC6A3 Q01959 10/20 0.49
TAAR1 Q96RJ0 2/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
P2RX3 P56373 1/20 0.40
P2RX2 Q9UBL9 1/20 0.40

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
SCHEMBL5013477 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL30539494 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TAAR1ALDH1A1
SCHEMBL5012150 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL5013383 0.82 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3TAAR1ALDH1A1
SCHEMBL11839087 0.82 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL5013663 0.81 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3TAAR1ALDH1A1
SCHEMBL11852666 0.80 HTR2A (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL27752629 0.80 TAAR1 (0.44) TAAR1NOS3NOS1NOS2P2RX3
SCHEMBL21385911 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL12250839 0.79 P2RX3 (0.48) SLC6A2SLC6A4SLC6A3TAAR1P2RX3

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-20170305909-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2017-10-26 US disclosed
EP-2022793-B1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO LTD (JP) 2014-06-04 EP disclosed
US-8367831-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2013-02-05 US disclosed
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-06 US disclosed
US-8211908-B2 Heterocyclic compound or salt thereof and intermediate thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-07-03 US disclosed
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-08-06 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-20170305909-A1 CHEMICAL COMPOUNDS MKI67, CCNI, MCL1 SLC6A2 2707/4885SLC6A4 3376/4885SLC6A3 2566/4885
US-20090198063-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, H1-4 SLC6A2 2606/4885SLC6A4 2442/4885SLC6A3 1623/4885
US-20120226035-A1 NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF IKZF3, ZC3HAV1L, CXXC5 SLC6A2 2827/4885SLC6A4 2394/4885SLC6A3 1522/4885

“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.