SCHEMBL3603303

SCHEMBL3603303

OC1CCN(c2ccc(Br)nn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMPD3 Q9NY59 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ACKR3 P25106 1/20 0.39
CYP1A2 P05177 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KLF5 Q13887 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
MAPT P10636 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BPTF Q12830 1/20 0.35
SCD O00767 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
CDK4 P11802 1/20 0.35
CDK6 Q00534 1/20 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
SCHEMBL4887991 0.90 CHRNB2 (0.38) LMNAHTTACKR3CDK4CDK6
SCHEMBL11908194 0.80 SMPD3 (0.44) SMPD3CYP1A2HRH3CDK4CDK6
SCHEMBL9413153 0.80 HTT (0.44) LMNAHTTSMPD3MEN1KMT2A
SCHEMBL31547032 0.79 CYP1A2 (0.52) LMNAHTTSMN1; SMN2CYP1A2NPC1
Ethane SCHEMBL5093868 0.79 HTT (0.43) LMNAHTTSMPD3MEN1KMT2A
SCHEMBL3826525 0.79 LMNA (0.43) LMNAHTTSMPD3MEN1KMT2A
SCHEMBL2963749 0.79 LMNA (0.67) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL12557337 0.78 CDK4 (0.39) LMNAHTTMEN1KMT2ASMN1; SMN2
Ethane SCHEMBL27265380 0.76 LMNA (0.63) LMNAHTTMEN1KMT2ASMN1; SMN2
SCHEMBL20249147 0.75 LMNA (0.40) LMNAHTTSMPD3MEN1KMT2A

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
US-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-01-07 US disclosed
EP-2076509-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2009-07-08 EP disclosed
WO-2008046226-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2008-04-24 WO 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-20100004245-A1 AZACYCLOALKANE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 LMNA 898/4885HTT 3364/4885SMPD3 206/4885

“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.