SCHEMBL9612698

SCHEMBL9612698

CC1(C)CCC(C)(C)c2cc(-c3cncc(N4CCNCC4)c3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.48
CHRNB2 P17787 7/20 0.47
CHRNA4 P43681 7/20 0.47
ACVR1B P36896 1/20 0.46
ACVR1 Q04771 1/20 0.46
CHRNA1 P02708 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR7 P34969 1/20 0.42

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
Hydrochloric Acid SCHEMBL8661851 0.99 TGFBR1 (0.47) TGFBR1CHRNB2CHRNA4ACVR1BACVR1
SCHEMBL8515143 0.84 HTR7 (0.60) HTR7
SCHEMBL9612801 0.82 PIM1 (0.44)
Hydrochloric Acid SCHEMBL8531680 0.81 PIM1 (0.44)
SCHEMBL8514096 0.80 ROCK2 (0.55)
SCHEMBL9612706 0.80 HTR7 (0.49) HTR7
Hydrochloric Acid SCHEMBL8515528 0.79 ROCK2 (0.54) HTR7
SCHEMBL2223691 0.79 ADRB1 (0.53) HTR7
SCHEMBL8511703 0.78 ROCK2 (0.39)
SCHEMBL22236804 0.78 TGFBR1 (0.58) TGFBR1CHRNB2CHRNA4ACVR1BACVR1

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
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
US-9062015-B2 Inhibitors of sphingosine kinase MERCK PATENT GMBH (DE) 2015-06-23 US disclosed
EP-2513057-B1 SPHINGOSINE KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-09-04 EP disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
US-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-10-04 US disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 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-20120252789-A1 INHIBITORS OF SPHINGOSINE KINASE SPHK1, SPHK2, S1PR3 TGFBR1 2435/4885CHRNB2 1824/4885CHRNA4 1701/4885

“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.