SCHEMBL3442158

SCHEMBL3442158

CCN(CC(N)CN)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.48
▸ CNR2 P34972 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ PSMD14 O00487 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ TAAR1 Q96RJ0 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NOX1 Q9Y5S8 1/20 0.38
▸ SLC6A2 P23975 1/20 0.37

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
SCHEMBL12639963 0.87 TSHR (0.50) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL502945 0.84 TSHR (0.47) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL2079917 0.84 TSHR (0.47) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL502944 0.84 TSHR (0.47) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL11801659 0.81 TSHR (0.52) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL12930708 0.81 TSHR (0.44) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL11498434 0.80 TSHR (0.47) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL12961615 0.76 TSHR (0.47) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL8959927 0.76 TSHR (0.55) TSHRCNR2MAPTALDH1A1PSMD14
SCHEMBL18657302 0.76 TSHR (0.59) TSHRCNR2MAPTALDH1A1PSMD14

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-7812047-B2 4-imidazolines HOFFMAN-LA ROCHE INC. (US) 2010-10-12 — — US disclosed
US-20090012138-A1 4-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-08 — — 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-20090012138-A1 4-IMIDAZOLINES TAAR1, TAAR5, GPR119 TSHR 23/4885CNR2 146/4885MAPT 156/4885

“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.

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