SCHEMBL14420826

SCHEMBL14420826

Cc1cc(C)c(OCCN2CCOCC2)cc1C

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.67
SYK P43405 1/20 0.58
ALDH1A1 P00352 3/20 0.57
NPC1 O15118 1/20 0.56
TSHR P16473 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL171015 0.88 NPC1 (0.65) POLBSYKALDH1A1NPC1TSHR
Hydrochloric Acid SCHEMBL5888564 0.87 POLB (0.59) POLBSYKALDH1A1NPC1TSHR
Hydrochloric Acid SCHEMBL5888035 0.87 POLB (0.59) POLBSYKALDH1A1NPC1TSHR
SCHEMBL14416658 0.86 MEN1 (0.65) POLBSYKALDH1A1NPC1TSHR
Hydrochloric Acid SCHEMBL5888563 0.86 POLB (0.58) POLBSYKALDH1A1NPC1TSHR
SCHEMBL12845584 0.85 SYK (0.64) POLBSYKALDH1A1NPC1TSHR
SCHEMBL13849354 0.85 SYK (0.64) POLBSYKALDH1A1NPC1TSHR
SCHEMBL21709877 0.84 POLB (0.59) POLBSYKNPC1TSHRSMN1; SMN2
SCHEMBL15872036 0.83 SMN1; SMN2 (0.74) POLBSYKALDH1A1NPC1TSHR
SCHEMBL13744602 0.82 NPC1 (0.65) POLBSYKALDH1A1NPC1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225287-A1 Substituted Arylpyrazines YOON TAEYOUNG 2007-09-27 US disclosed
US-7202250-B2 Substituted arylpyrazines NEUROGEN CORPORATION (US) 2007-04-10 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 (1 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-20070225287-A1 Substituted Arylpyrazines CRHR1, CRHR2, CRH POLB 4841/4885SYK 4582/4885ALDH1A1 1575/4885

“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.