SCHEMBL1980228

SCHEMBL1980228

O=C(O)N1CCC(c2cc3cc(Br)ccc3[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
FPR2 P25090 1/20 0.39
GPR183 P32249 2/20 0.39
CYP19A1 P11511 1/20 0.38
FLT3 P36888 1/20 0.38
PYGL P06737 1/20 0.37
PYGM P11217 1/20 0.37
AKR1C3 P42330 1/20 0.36
BCAT1 P54687 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 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
SCHEMBL25340536 0.90 HRH4 (0.47) HRH4HRH3GPR183GRIN2DGRIN3B
SCHEMBL2476154 0.84 HRH4 (0.47) HRH4HRH3MEN1KMT2AAKR1C3
SCHEMBL1980646 0.82 KDM4E (0.55) HRH4HRH3MEN1KMT2APOLB
SCHEMBL31198852 0.80 CDK9 (0.33) HRH3MEN1KMT2AIDO1CYP51A1
SCHEMBL20740536 0.78 CYP19A1 (0.44) HRH4HRH3MEN1KMT2APOLB
SCHEMBL27878458 0.78 HRH3 (0.42) HRH4HRH3MEN1KMT2APOLB
SCHEMBL1463711 0.77 CYP19A1 (0.42) HRH4HRH3MEN1KMT2APOLB
SCHEMBL25337924 0.72 KDM4E (0.55) HRH4MEN1KMT2AFPR2
SCHEMBL9894157 0.70 L3MBTL1 (0.50) HRH3POLBNPC1
SCHEMBL16703663 0.70 PAK4 (0.35) MEN1KMT2APOLBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513054-B1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2016-03-09 EP disclosed
US-8552032-B2 Bicyclic derivatives useful as inhibitors of DPP-1 JANSSEN PHARMACEUTICA NV (BE) 2013-10-08 US disclosed
US-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 JANSSEN PHARMACEUTICA (BE) 2011-06-23 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-20110152321-A1 BICYCLIC DERIVATIVES USEFUL AS INHIBITORS OF DPP-1 DPP4, DPP7, DPP3 HRH4 1417/4885HRH3 2853/4885MEN1 4501/4885

“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.