SCHEMBL1106511

SCHEMBL1106511

CC(C)n1cc(CN(C)C)ccc1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
PTGS2 P35354 1/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
BPTF Q12830 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
NMT1 P30419 1/20 0.34
PARP1 P09874 1/20 0.33
GSR P00390 1/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33

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
SCHEMBL21475878 0.83 HRH3 (0.44) HRH3PTGS2PTGDR2TAAR1BPTF
SCHEMBL21476163 0.81 PTGS2 (0.40) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL21476009 0.80 BPTF (0.39) HRH3PTGS2BRD9PTGDR2BPTF
SCHEMBL21476161 0.80 PTGS2 (0.36) PTGS2PTGDR2ADORA2AADORA1BMPR1B
SCHEMBL15807129 0.79 PTGS2 (0.42) PTGS2PTGDR2ALDH1A1ADORA2AADORA1
SCHEMBL1106463 0.78 PTGS2 (0.41) HRH3PTGS2PTGDR2BPTFADORA2A
SCHEMBL21459441 0.78 PTGS2 (0.43) HRH3PTGS2BRD4BRD9PTGDR2
SCHEMBL21476137 0.77 PTGS2 (0.37) HRH3PTGS2BRD4BRD9HDAC3
SCHEMBL18306497 0.76 BRD4 (0.49) HRH3BRD4BRD9ALDH1A1TSHR
SCHEMBL21459484 0.74 PPID (0.35) HRH3PTGS2BRD4BRD9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174228-B2 Antagonists of human integrin (α4)(β7) MORPHIC THERAPEUTIC, INC. (US) 2021-11-16 US disclosed
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. 2020-12-10 US disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 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 (4 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-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HRH3 1829/4885PTGS2 1023/4885BRD4 4489/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HRH3 1829/4885PTGS2 1023/4885BRD4 4489/4885
US-11174228-B2 Antagonists of human integrin (α4)(β7) ITGB7, ITGB4, ITGA4 HRH3 556/4885PTGS2 4519/4885BRD4 515/4885
US-20200385352-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) ITGB7, ITGB4, ITGA4 HRH3 553/4885PTGS2 4366/4885BRD4 442/4885

“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.