SCHEMBL10112201

SCHEMBL10112201

CN1CCC(C(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.60
MGLL Q99685 1/20 0.60
SLC18A3 Q16572 2/20 0.58
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
POLB P06746 2/20 0.50
ALDH1A1 P00352 1/20 0.50
DUSP3 P51452 1/20 0.50
PTPN5 P54829 1/20 0.50
PTPN11 Q06124 1/20 0.50
CCR5 P51681 1/20 0.49
HTR1F P30939 2/20 0.48

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
SCHEMBL4195672 0.90 MGLL (0.57) HSD11B1MGLLSLC18A3MEN1KMT2A
SCHEMBL13944389 0.84 SRD5A2 (0.57) HSD11B1MGLLMEN1KMT2APOLB
SCHEMBL28203216 0.84 KMT2A (0.71) HSD11B1MGLLMEN1KMT2AALDH1A1
SCHEMBL4192633 0.83 HSD11B1 (0.65) HSD11B1MGLLSLC18A3MEN1KMT2A
SCHEMBL13463 0.83 MGLL (0.58) HSD11B1MGLLSLC18A3MEN1KMT2A
SCHEMBL3391936 0.83 HSD11B1 (0.69) HSD11B1MGLLPOLBHTR1F
SCHEMBL3391998 0.83 MGLL (0.69) HSD11B1MGLLMEN1KMT2A
SCHEMBL13899388 0.83 MGLL (0.60) HSD11B1MGLLSLC18A3MEN1KMT2A
SCHEMBL8081266 0.83 MGLL (0.60) HSD11B1MGLLSLC18A3MEN1KMT2A
SCHEMBL2552838 0.82 HTR2A (0.62) HSD11B1MGLLSLC18A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
EP-0013612-B1 (PIPERIDINYLALKYL)QUINAZOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JANSSEN PHARMACEUTICA N.V. (BE) 1983-11-09 EP disclosed
US-4342870-A SEROTONIN ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1982-08-03 US disclosed
EP-0037265-A1 3-(1-piperidinylalkyl)-4H-pyrido(1,2-a)pyrimidin-4-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1981-10-07 EP 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-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 HSD11B1 149/4885MGLL 1762/4885SLC18A3 2266/4885

“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.