SCHEMBL5880335

SCHEMBL5880335

c1ccc2c(c1)CC1CCCC1N2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NOS2 P35228 3/20 0.39
AR P10275 1/20 0.37
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
PRCP P42785 1/20 0.33
SMYD3 Q9H7B4 1/20 0.33

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
SCHEMBL5208272 0.96 TSHR (0.49) TSHRLMNAGAAMAPTNOS2
SCHEMBL5208279 0.96 TSHR (0.49) TSHRLMNAGAAMAPTNOS2
SCHEMBL5213527 0.96 TSHR (0.49) TSHRLMNAGAAMAPTNOS2
SCHEMBL26075115 0.95 TSHR (0.47) TSHRLMNAGAAMAPTNOS2
SCHEMBL21400551 0.80 LMNA (0.47) TSHRLMNAGAAMAPTNOS2
SCHEMBL12475851 0.79 GAA (0.47) TSHRLMNAGAAMAPTNOS2
SCHEMBL3522990 0.78 LMNA (0.45) TSHRLMNAGAAMAPTNOS2
SCHEMBL30059612 0.78 MAPT (0.53) TSHRLMNAGAAMAPTAR
SCHEMBL3521800 0.76 LMNA (0.44) TSHRLMNAGAAMAPTNOS2
SCHEMBL7889801 0.75 GAA (0.38) TSHRLMNAGAAMAPTAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060154920-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij] quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-07-13 US disclosed
US-7071185-B2 1,2,3,4,7,8-hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH (US) 2006-07-04 US disclosed
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents WYETH 2004-01-29 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 (2 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-20060154920-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij] quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR7, HTR1A TSHR 256/4885LMNA 3340/4885GAA 2366/4885
US-20040019040-A1 1,2,3,4,7,8-Hexahydro-6H-[1,4]diazepino[6,7,1-ij]quinoline derivatives as antipsychotic and antiobesity agents HTR2C, HTR1A, HTR7 TSHR 336/4885LMNA 3303/4885GAA 2293/4885

“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.