SCHEMBL3647917

SCHEMBL3647917

Cc1ccc(C(CN)CC(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
TAAR1 Q96RJ0 3/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 1/20 0.35
CHRNA7 P36544 1/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
CA7 P43166 1/20 0.34
GABBR2 O75899 4/20 0.34
GABBR1 Q9UBS5 4/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
NFKB1 P19838 1/20 0.34
DRD3 P35462 1/20 0.34
BLM P54132 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5699189 0.91 TAAR1 (0.39) TAAR1CYP1A2GABBR2GABBR1LMNA
SCHEMBL28510125 0.87 ACHE (0.44) ACHECHRNA7ALOX5MAOAMAOB
SCHEMBL3667006 0.84 CYP1A2 (0.42) ACHETAAR1CYP1A2CYP2A6CHRNA7
SCHEMBL21610467 0.82 GABBR2 (0.53) CYP1A2CHRNA7GABBR2GABBR1LMNA
SCHEMBL3642655 0.82 GABBR2 (0.53) CYP1A2CHRNA7GABBR2GABBR1LMNA
SCHEMBL19090082 0.81 TAAR1 (0.56) TAAR1GABBR2GABBR1
SCHEMBL19294780 0.81 TAAR1 (0.56) TAAR1GABBR2GABBR1
SCHEMBL19123060 0.81 ACHE (0.40) ACHECYP1A2CHRNA7ALOX5MAOA
SCHEMBL2086299 0.81 TAAR1 (0.56) TAAR1GABBR2GABBR1
Hydrochloric Acid SCHEMBL3665299 0.80 GABBR2 (0.51) CYP1A2CHRNA7GABBR2GABBR1LMNA

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
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 US claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 EP claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 WO claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 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-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A ACHE 164/4885TAAR1 162/4885CYP1A2 787/4885

“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.