SCHEMBL2182292

SCHEMBL2182292

[c]1cccc(-c2ccc(N3CCNCC3)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 5/20 0.50
HTR3E A5X5Y0 4/20 0.50
HTR3B O95264 4/20 0.50
HTR3A P46098 4/20 0.50
HTR3D Q70Z44 4/20 0.50
HTR3C Q8WXA8 4/20 0.50
SIGMAR1 Q99720 4/20 0.50
HTR7 P34969 4/20 0.49
HTR1A P08908 3/20 0.49
LTA4H P09960 1/20 0.45
ADRB2 P07550 1/20 0.43
NCF1 P14598 1/20 0.43
PLD1 Q13393 1/20 0.43
ACVR1 Q04771 2/20 0.43
KDR P35968 1/20 0.43
TGFBR1 P36897 1/20 0.43
PRKAB1 Q9Y478 1/20 0.43
ALDH1A1 P00352 3/20 0.43
USP2 O75604 2/20 0.43
TSHR P16473 2/20 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
SCHEMBL2185093 0.82 MAPT (0.47) ALDH1A1USP2TSHRHSD17B10TP53
SCHEMBL2182852 0.81 ADRB1 (0.59) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4613193 0.81 ADRB1 (0.55) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL1359864 0.81 ADRB1 (0.76) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL15245011 0.80 ADRB1 (0.68) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL4321625 0.77 SIGMAR1 (0.46) ADRB1HTR3EHTR3BHTR3AHTR3D
SCHEMBL2184742 0.75 USP2 (0.56) ALDH1A1USP2TSHRHSD17B10CYP1A2
SCHEMBL27785013 0.75 MAPT (0.54) ALDH1A1TSHRSMN1; SMN2
SCHEMBL17200847 0.74 ALDH1A1 (0.37) ALDH1A1HSD17B10CYP1A2CYP3A4MAPK1
SCHEMBL5570604 0.74 ADRB1 (0.77) ADRB1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 ADRB1 996/4885HTR3E 2475/4885HTR3B 2379/4885

“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.