SCHEMBL3592917

SCHEMBL3592917

C[CH]Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 1/20 0.57
▸ HTR3A P46098 1/20 0.51
▸ AGXT P21549 1/20 0.51
▸ DRD2 P14416 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MAPT P10636 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ HTR6 P50406 1/20 0.43
▸ ABCB1 P08183 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.43
▸ FAAH O00519 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ PTK2B Q14289 1/20 0.42

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
SCHEMBL1372927 0.81 KCNH2 (0.69) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL3597710 0.81 MAPT (0.53) ADRA2CHTR3ADRD2MAPTNPC1
SCHEMBL2599616 0.78 ADRA2C (0.59) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL25492995 0.77 ADRA2C (0.57) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL12251546 0.77 ADRA2C (0.57) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL3584889 0.76 ADRA2C (0.61) ADRA2CHTR3AAGXTMAPTNPC1
SCHEMBL12968842 0.75 ADRA2C (0.56) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL23657330 0.75 KCNH2 (0.61) ADRA2CDRD2KCNH2MAPTNPC1
SCHEMBL27818699 0.75 ADRA2C (0.56) ADRA2CHTR3AAGXTDRD2KCNH2
SCHEMBL26423291 0.75 ADRA2C (0.65) ADRA2CHTR3AAGXTKCNH2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 — — 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN ADRA2C 3317/4885HTR3A 3666/4885AGXT 4353/4885

“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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