SCHEMBL4838982

SCHEMBL4838982

O=C(c1ccc(F)cc1)N1CCc2ccccc2C1CCN1CCC(C(=O)N2CCCCC2)(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR2C P28335 2/20 0.40
HTR1A P08908 1/20 0.40
DRD3 P35462 1/20 0.40
DRD2 P14416 1/20 0.39
NPY1R P25929 1/20 0.39
SLC6A4 P31645 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL4840640 0.89 HTR7 (0.41) HTR2CHTR1ADRD3DRD2OPRD1
SCHEMBL4838202 0.88 HSD11B1 (0.45) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4838275 0.83 NPSR1 (0.53) HSD11B1MEN1KMT2AALDH1A1LMNA
SCHEMBL4830126 0.81 TACR3 (0.45) DRD3DRD2
SCHEMBL4837098 0.81 TP53 (0.40) HSD11B1MEN1KMT2ANPSR1SLC6A4
SCHEMBL4837767 0.80 DRD2 (0.54) MEN1KMT2AALDH1A1HTR2CHTR1A
SCHEMBL4830055 0.77 CYP2C19 (0.49) ALDH1A1DRD3
SCHEMBL4838113 0.77 TP53 (0.42) MEN1KMT2AOPRD1
SCHEMBL4841563 0.76 DRD2 (0.54) HTR1ADRD3DRD2
SCHEMBL4838989 0.76 DRD2 (0.46) HTR2CHTR1ADRD3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7384957-B2 3,4-dihydro-1H-isoquinolin-2-yl-derivatives H. LUNDBECK A/S (DK) 2008-06-10 US claimed
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives H. LUNDBECK A/S (DK) 2005-03-31 US claimed
US-7384957-B2 3,4-dihydro-1H-isoquinolin-2-yl-derivatives H. LUNDBECK A/S (DK) 2008-06-10 US disclosed
US-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives H. LUNDBECK A/S (DK) 2005-03-31 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-20050070713-A1 3 4-Dihydro-1h-isoquinoloin-2-yl-derivatives KCNJ2, KCNK2, KCNJ11 HSD11B1 1314/4885MEN1 1680/4885KMT2A 1208/4885

“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.