SCHEMBL4915015

SCHEMBL4915015

[CH2]CCCC(=O)N1CCN(C(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.48
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
NPC1 O15118 1/20 0.42
KCNH2 Q12809 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GNAI3 P08754 1/20 0.40
GNAI1 P63096 1/20 0.40
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.37
TACR1 P25103 1/20 0.37

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
SCHEMBL19754840 0.82 ATM (0.48) HRH3ATML3MBTL1NPC1KCNH2
SCHEMBL23551686 0.82 HRH3 (0.48) HRH3ATML3MBTL1NPC1KCNH2
SCHEMBL18195129 0.82 L3MBTL1 (0.65) HRH3ATML3MBTL1MEN1KMT2A
SCHEMBL19754848 0.82 ATM (0.48) HRH3ATML3MBTL1NPC1KCNH2
SCHEMBL10975755 0.82 HRH3 (0.51) HRH3ATML3MBTL1NPC1KCNH2
SCHEMBL19606452 0.81 HRH3 (0.47) HRH3ATML3MBTL1NPC1KCNH2
SCHEMBL17561993 0.81 GNAI3 (0.63) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL18195128 0.81 GNAI3 (0.63) HRH3L3MBTL1MEN1KMT2ATDP1
SCHEMBL23730018 0.81 HRH3 (0.47) HRH3ATML3MBTL1NPC1KCNH2
SCHEMBL26700702 0.81 ATM (0.47) HRH3ATML3MBTL1NPC1KCNH2

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 HRH3 734/4885ATM 4228/4885L3MBTL1 4776/4885

“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.