SCHEMBL9966288

SCHEMBL9966288

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(N5CCOCC5)cc4)CCC3)cc2)cn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.67
DGAT1 O75907 2/20 0.54
PIK3CA P42336 6/20 0.49
MTOR P42345 5/20 0.49
AKT1 P31749 4/20 0.49
HDAC1 Q13547 3/20 0.45
ATR Q13535 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
BMPR1B O00238 1/20 0.43
BMPR1A P36894 1/20 0.43
TGFBR1 P36897 1/20 0.43
ACVRL1 P37023 1/20 0.43
ACVR1 Q04771 1/20 0.43

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
SCHEMBL9966228 0.95 LMNA (0.60) LMNADGAT1PIK3CAMTORAKT1
SCHEMBL9966222 0.91 LMNA (0.55) LMNADGAT1PIK3CAMTORAKT1
SCHEMBL9966293 0.87 LMNA (0.56) LMNADGAT1TSHRRAB9AALDH1A1
SCHEMBL9966426 0.86 LMNA (0.49) LMNAPIK3CAMTORAKT1ALDH1A1
SCHEMBL14315175 0.84 HDAC1 (0.52) LMNAHDAC1
SCHEMBL14295956 0.82 HDAC1 (0.54) LMNAHDAC1TSHRRAB9AMAPT
SCHEMBL9966435 0.82 LMNA (0.59) LMNAHDAC1TSHRRAB9AALDH1A1
SCHEMBL9966398 0.82 LMNA (0.49) LMNATSHRRAB9AALDH1A1MAPT
SCHEMBL9966409 0.82 HDAC1 (0.56) LMNAHDAC1ALDH1A1
SCHEMBL9966518 0.81 HDAC1 (0.53) LMNAHDAC1TSHRRAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651930-B1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-9073895-B2 Biarylamide inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
US-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 US disclosed
WO-2012082817-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S LMNA 351/4885DGAT1 1302/4885PIK3CA 1529/4885

“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.