SCHEMBL1381371

SCHEMBL1381371

CC(C)CCN1CCC(CO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.40
TACR2 P21452 1/20 0.39
ARG1 P05089 1/20 0.39
ARG2 P78540 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
LTA4H P09960 1/20 0.37
CHRM4 P08173 2/20 0.36
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNA3 P22001 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34

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
SCHEMBL7320753 0.85 SIGMAR1 (0.43) GBA1TACR2ARG1ARG2HRH3
SCHEMBL18389282 0.82 ARG1 (0.37) ARG1ARG2CHRM4SIGMAR1OPRL1
SCHEMBL10052292 0.82 ARG1 (0.37) ARG1ARG2CHRM4SIGMAR1OPRL1
SCHEMBL23105099 0.82 ARG1 (0.40) ARG1ARG2CHRM4
SCHEMBL1381369 0.80 ARG1 (0.39) ARG1ARG2CHRM4SIGMAR1OPRL1
SCHEMBL13683795 0.79 PIK3CD (0.44) HRH3GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL6957321 0.79 KCNA3 (0.53) GBA1TACR2ARG1ARG2OPRL1
SCHEMBL25877203 0.78 ARG1 (0.41) ARG1ARG2CHRM4SIGMAR1OPRL1
SCHEMBL23946081 0.78 ARG1 (0.41) GBA1ARG1ARG2HRH3CHRM4
SCHEMBL17430744 0.78 ARG1 (0.44) ARG1ARG2CHRM4OPRL1

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4795336-B2 2011-10-19 JP claimed
EP-1751113-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2010-03-10 EP claimed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US claimed
EP-1750704-B1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2009-07-22 EP claimed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US claimed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
EP-1751113-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Pharma Company (US) 2007-02-14 EP claimed
EP-1750704-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS Bristol-Myers Squibb Company (US) 2007-02-14 EP claimed
WO-2005113511-A9 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB CO (US) 2006-02-02 WO claimed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO claimed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO claimed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US claimed
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 US claimed
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity SHENZHEN TARGETRX, INC. (CN) 2022-02-22 US disclosed
WO-2021231486-A1 CANCER TREATMENT BY SENESCENCE INDUCTION FOLLOWED BY A SENOLYTIC UNITY BIOTECHNOLOGY, INC. (US) 2021-11-18 WO disclosed
US-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY SHENZHEN TARGETRX, INC. (CN) 2021-03-25 US disclosed
WO-2005113537-A2 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 US disclosed
WO-2005113511-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-01 WO disclosed
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY 2005-11-24 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 (5 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-20210087213-A1 DIANILINOPYRIMIDINE COMPOUND FOR INHIBITING KINASE ACTIVITY ALK, BRAF, MUSK GBA1 1420/4885TACR2 3365/4885ARG1 3960/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 GBA1 2058/4885TACR2 916/4885ARG1 861/4885
US-20050267119-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 GBA1 2058/4885TACR2 916/4885ARG1 861/4885
US-11254696-B2 Dianilinopyrimidine compound for inhibiting kinase activity ALK, BRAF, MUSK GBA1 1496/4885TACR2 3118/4885ARG1 4257/4885
US-20050261244-A1 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions P2RY1, P2RY11, P2RY2 GBA1 1965/4885TACR2 672/4885ARG1 870/4885

“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.