SCHEMBL4836727

SCHEMBL4836727

CC(=O)NC1(c2ccccc2)CCN(CCC2c3ccccc3CCN2C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
TACR2 P21452 3/20 0.39
TACR1 P25103 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MTNR1B P49286 2/20 0.39
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
OPRM1 P35372 4/20 0.37
OPRK1 P41145 3/20 0.37
TACR3 P29371 3/20 0.36
OPRD1 P41143 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL4839655 0.92 OPRM1 (0.46) POLBTACR2TACR1ALDH1A1MTNR1B
SCHEMBL4830126 0.92 TACR3 (0.45) POLBTACR3
SCHEMBL4837665 0.92 DRD3 (0.43) POLBTACR2TACR1ALDH1A1MTNR1B
SCHEMBL4830077 0.91 CYP2C19 (0.47) ALDH1A1MTNR1BTACR3
SCHEMBL4833088 0.91 GRIN2C (0.46) POLBTACR2TACR1
SCHEMBL4837218 0.86 GRIN2C (0.46) TACR2TACR1TACR3
SCHEMBL4830055 0.85 CYP2C19 (0.49) ALDH1A1MTNR1BTACR3
SCHEMBL4837276 0.84 CYP2C19 (0.47) ALDH1A1TACR3
SCHEMBL4840728 0.84 CYP2C19 (0.50) ALDH1A1OPRM1OPRK1TACR3LMNA
SCHEMBL4839170 0.83 POLB (0.41) POLBTACR2TACR1ALDH1A1MTNR1B

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 POLB 4382/4885TACR2 10/4885TACR1 118/4885

“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.