SCHEMBL3876194

SCHEMBL3876194

Cc1cccc(N2CCN(c3nc(-c4c(C)cc(C)cc4C)nc(N4CCOCC4)n3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.49
▸ TP53 P04637 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HTT P42858 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ LMNA P02545 4/20 0.44
▸ PIK3CA P42336 4/20 0.44
▸ MTOR P42345 3/20 0.44
▸ PIK3R1 P27986 2/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ SLC6A9 P48067 1/20 0.43
▸ SLC6A5 Q9Y345 1/20 0.43

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
SCHEMBL3878738 0.85 MAPT (0.55) MAPTTP53POLBALDH1A1KCNH2
SCHEMBL12980 0.79 ADRB1 (0.62) MAPTTP53POLBHTTALDH1A1
SCHEMBL6740206 0.76 LMNA (0.70) MAPTPOLBHTTALDH1A1CYP1A2
SCHEMBL6739807 0.72 AKR1C3 (0.63) MAPTTP53HTTALDH1A1CYP1A2
SCHEMBL11096302 0.72 KCNH2 (0.73) MAPTALDH1A1KCNH2RAB9ACYP2C19
SCHEMBL1310027 0.71 PIK3CA (0.52) MAPTTP53POLBCYP1A2CYP3A4
SCHEMBL10373770 0.71 ADRB1 (0.74) MAPTALDH1A1KCNH2RAB9AL3MBTL1
SCHEMBL11103700 0.71 ADRB1 (0.74) MAPTALDH1A1KCNH2RAB9AL3MBTL1
SCHEMBL1309697 0.70 PIK3CA (0.52) POLBHTTALDH1A1CYP1A2CYP3A4
SCHEMBL1124005 0.70 MAPT (0.65) MAPTPOLBHTTALDH1A1CYP1A2

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
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 — — US claimed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 — — US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 — — US disclosed
US-20070027155-A1 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION 2007-02-01 — — 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-20070027155-A1 Biaryl piperazinyl-pyridine analogues GPR174, GPR68, PPARG MAPT 4004/4885TP53 2262/4885POLB 3049/4885

“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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