SCHEMBL4902302

SCHEMBL4902302

C[C@H]1CCN(C(=O)c2ccc(Br)c(C(=O)N3CCN(C)CC3)c2)c2ccccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CREBBP Q92793 1/20 0.38
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
POLB P06746 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
BRD4 O60885 1/20 0.36

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
SCHEMBL4910616 0.90 KMT2A (0.43) HPGDKMT2AGPBAR1MAPTALDH1A1
SCHEMBL4904747 0.88 BRD4 (0.39) TSHRHPGDMEN1KMT2ACREBBP
SCHEMBL4906946 0.87 GPBAR1 (0.41) MEN1KMT2AAVPR1AGPBAR1MAPT
SCHEMBL4910029 0.84 GPBAR1 (0.39) TSHRHPGDMEN1KMT2AAVPR1A
SCHEMBL4909238 0.83 AVPR1A (0.38) TSHRHPGDMEN1KMT2ACREBBP
SCHEMBL4907240 0.83 GPBAR1 (0.42) HPGDMEN1KMT2AAVPR1AGPBAR1
SCHEMBL4912334 0.83 GPBAR1 (0.42) HPGDMEN1KMT2AAVPR1AGPBAR1
SCHEMBL4904274 0.80 PDE4A (0.47) KMT2AALDH1A1LMNABRD4
SCHEMBL4911740 0.80 BRD4 (0.37) HPGDMEN1KMT2AAVPR1AGPBAR1
SCHEMBL4915030 0.80 PDE4A (0.47) KMT2AALDH1A1LMNABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 TSHR 1671/4885HPGD 1289/4885MEN1 2996/4885

“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.