SCHEMBL3842855

SCHEMBL3842855

O=C(O)CN1CCc2cc(Br)ccc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.53
ITGB3 P05106 2/20 0.52
ITGA2B P08514 2/20 0.52
ACACB O00763 1/20 0.51
PRMT5 O14744 5/20 0.49
CD274 Q9NZQ7 1/20 0.47
AKR1C3 P42330 1/20 0.46
ABHD6 Q9BV23 1/20 0.46
HSD17B3 P37058 2/20 0.45
WDR77 Q9BQA1 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PRMT1 Q99873 1/20 0.43
S1PR1 P21453 1/20 0.43
ASIC3 Q9UHC3 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
SCHEMBL18093726 0.87 DPP8 (0.46) CARM1ITGB3ITGA2BACACBPRMT5
SCHEMBL28772720 0.83 CARM1 (0.58) CARM1ACACBPRMT5ABHD6HSD17B3
SCHEMBL7798156 0.83 ITGB3 (0.54) ITGB3ITGA2BCD274S1PR1
SCHEMBL7788367 0.82 ITGB3 (0.58) ITGB3ITGA2BACACBCD274AKR1C3
SCHEMBL24109370 0.81 CARM1 (0.50) CARM1ACACBPRMT5CD274ABHD6
SCHEMBL1015138 0.80 CARM1 (0.49) CARM1ACACBPRMT5ABHD6HSD17B3
SCHEMBL31108108 0.80 CARM1 (0.49) CARM1ACACBPRMT5ABHD6HSD17B3
SCHEMBL3478431 0.79 ALDH1A1 (0.59) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL7799385 0.78 ITGB3 (0.58) ITGB3ITGA2BPRMT5CD274ABHD6
SCHEMBL22675642 0.78 CARM1 (0.56) CARM1ACACBPRMT5WDR77KDM4E

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-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES LIGAND PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7795262-B2 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION (US) 2010-09-14 US disclosed
EP-1998620-A4 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORP (US) 2009-09-02 EP disclosed
EP-1998620-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES Neurogen Corporation (US) 2008-12-10 EP disclosed
US-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues NEUROGEN CORPORATION 2007-10-04 US disclosed
WO-2007106349-A2 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-09-20 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-20070232591-A1 Piperazinyl oxoalkyl tetrahydroisoquinolines and related analogues HRH3, HRH4, HRH1 CARM1 1039/4885ITGB3 1915/4885ITGA2B 2593/4885
US-20110082130-A1 PIPERAZINYL OXOALKYL TETRAHYDROISOQUINOLINES AND RELATED ANALOGUES HRH3, HRH4, HRH1 CARM1 1039/4885ITGB3 1915/4885ITGA2B 2593/4885

“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.