SCHEMBL4904747

SCHEMBL4904747

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.39
MAPK1 P28482 2/20 0.38
MAPT P10636 1/20 0.38
CREBBP Q92793 1/20 0.38
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR2A P28223 1/20 0.37
LMNA P02545 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CRBN Q96SW2 1/20 0.36
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
RAB9A P51151 1/20 0.35
POLB P06746 2/20 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
SCHEMBL4902302 0.88 TSHR (0.41) BRD4MAPK1MAPTCREBBPHPGD
SCHEMBL4912725 0.88 ADRA2C (0.42) BRD4MAPK1MAPTCREBBPHPGD
SCHEMBL5284520 0.88 ADRA2C (0.42) BRD4MAPK1MAPTCREBBPHPGD
SCHEMBL4912161 0.85 ALDH1A1 (0.46) MAPK1MAPTLMNATDP1MEN1
SCHEMBL4907240 0.84 GPBAR1 (0.42) BRD4MAPK1MAPTHPGDLMNA
SCHEMBL4912334 0.84 GPBAR1 (0.42) BRD4MAPK1MAPTHPGDLMNA
SCHEMBL4906946 0.82 GPBAR1 (0.41) BRD4MAPK1MAPTLMNATDP1
SCHEMBL4912090 0.82 BRD4 (0.37) BRD4MAPK1MAPTTSHRLMNA
SCHEMBL4904274 0.82 PDE4A (0.47) BRD4LMNAKMT2AALDH1A1GLA
SCHEMBL4915030 0.82 PDE4A (0.47) BRD4LMNAKMT2AALDH1A1GLA

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 BRD4 295/4885MAPK1 1327/4885MAPT 3584/4885

“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.