SCHEMBL4837767

SCHEMBL4837767

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.54
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ATM Q13315 1/20 0.48
MCHR1 Q99705 3/20 0.45
SIGMAR1 Q99720 1/20 0.45
HTR2C P28335 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
SLC18A3 Q16572 1/20 0.44
HTR1A P08908 1/20 0.42

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
SCHEMBL4841563 0.93 DRD2 (0.54) DRD2MCHR1HTR1A
SCHEMBL4838989 0.93 DRD2 (0.46) DRD2NPC1RAB9AATMMCHR1
SCHEMBL4833070 0.90 MCHR1 (0.45) DRD2NPC1RAB9AATMMCHR1
SCHEMBL4837310 0.89 DRD2 (0.48) DRD2MEN1KMT2A
SCHEMBL4839490 0.85 HTR2A (0.47) DRD2HTR2CHTR1A
SCHEMBL4833023 0.82 HTR1D (0.54) DRD2HTR1A
SCHEMBL4830089 0.81 HTR2A (0.54) DRD2HTR2CHTR1A
SCHEMBL4833495 0.81 ALDH1A1 (0.55) ATMSIGMAR1ALDH1A1SLC18A3
SCHEMBL4838880 0.81 ADRA1D (0.52) DRD2HTR1A
SCHEMBL4840640 0.81 HTR7 (0.41) DRD2SIGMAR1HTR2CSLC18A3HTR1A

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 DRD2 684/4885NPC1 513/4885RAB9A 2911/4885

“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.