SCHEMBL3595162

SCHEMBL3595162

CN1CCN(c2[c]scc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
PTK2B Q14289 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RECQL P46063 1/20 0.38
CHKA P35790 2/20 0.36
HTR3A P46098 4/20 0.35
HTR3E A5X5Y0 3/20 0.35
HTR3B O95264 3/20 0.35
HTR3D Q70Z44 3/20 0.35
HTR3C Q8WXA8 3/20 0.35
DRD2 P14416 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL1608105 0.83 HRH3 (0.33) KDM4EGAAMAPTALDH1A1GFER
SCHEMBL1607692 0.78 LMNA (0.41) KDM4EMAPTALDH1A1KMT2AMAPK1
SCHEMBL1606819 0.78 ADRB1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1907933 0.69 ACHE (0.40) ADRA2CMAPTKMT2AESR2DRD2
SCHEMBL7672750 0.68 MC4R (0.48) KDM4EALDH1A1CHKAMC4R
SCHEMBL1852924 0.65 ADRA2C (0.44) ADRA2CKDM4EGAAMAPTPTK2B
SCHEMBL3340768 0.65 MEN1 (0.33) KDM4EGAAMAPTALDH1A1KMT2A
SCHEMBL28420185 0.64 MAPT (0.37) ADRA2CKDM4EGAAMAPTPTK2B
SCHEMBL18228156 0.64 HRH4 (0.40) ADRA2CKDM4EGAAMAPTPTK2B
SCHEMBL933508 0.63 HTR3A (0.42) ADRA2CKDM4EALDH1A1HTR3AHTR3E

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 3317/4885KDM4E 557/4885GAA 3549/4885

“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.