SCHEMBL5059600

SCHEMBL5059600

c1ccc(C2(N3CCOCC3)CNCC[N]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.36
LMNA P02545 1/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
OPRL1 P41146 2/20 0.33
SLC6A9 P48067 1/20 0.32
BRD4 O60885 1/20 0.32
AR P10275 1/20 0.31
PKM P14618 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31

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
SCHEMBL9571716 0.87 HTR2A (0.39) HTR2APOLBBRD4ARUSP2
SCHEMBL5187018 0.87 GRIN1 (0.40) HTR2AALDH1A1USP2CYP1A2CYP3A4
SCHEMBL3248049 0.69 ADRA2A (0.32)
SCHEMBL19262558 0.68 SIGMAR1 (0.50) HTR2ALMNAALDH1A1SMN1; SMN2HSD17B10
SCHEMBL6582543 0.68 OPRM1 (0.40) HTR2AALDH1A1USP2CYP3A4CYP2D6
SCHEMBL654291 0.68 HTR2A (0.47) HTR2AAR
SCHEMBL4436585 0.65 HTR2A (0.44) HTR2AAR
SCHEMBL1254663 0.65 HTR2A (0.44) HTR2AAR
SCHEMBL10682672 0.65 HTR2A (0.44) HTR2AARCYP2D6SLC6A2SLC6A4
SCHEMBL2201139 0.65 HTR2A (0.44) HTR2AALDH1A1OPRL1ARSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP claimed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US claimed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 WO claimed
US-8242115-B2 Inhibit DNA-dependent protein kinase; reduced side effects caused by radiation and chemotherapy drugs LUITPOLD PHARMACEUTICALS, INC. (US) 2012-08-14 US disclosed
US-20080090782-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. (US) 2008-04-17 US disclosed
US-7179912-B2 Materials and methods to potentiate cancer treatment ICOS CORPORATION (US) 2007-02-20 US disclosed
EP-1351946-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2003-10-15 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
WO-2002020500-A2 MATERIALS AND METHODS TO POTENTIATE CANCER TREATMENT ICOS CORPORATION (US) 2002-03-14 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 (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-20080090782-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 HTR2A 4091/4885LMNA 834/4885ALDH1A1 3519/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 HTR2A 4091/4885LMNA 834/4885ALDH1A1 3519/4885

“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.