SCHEMBL5114260

SCHEMBL5114260

COC(=O)C1(CN2CCC(CN)CC2)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.34
NCF1 P14598 1/20 0.33
TPSAB1 Q15661 1/20 0.31
TPSD1 Q9BZJ3 1/20 0.31
TPSG1 Q9NRR2 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5114016 0.88 HTR4 (0.35) HTR4GAAMEN1KMT2ACYP3A4
SCHEMBL1970718 0.88 CYP4F2 (0.40) NCF1TPSAB1TPSD1TPSG1SMN1; SMN2
SCHEMBL1968493 0.88 CYP4F2 (0.37) HTR4NCF1TPSAB1TPSD1TPSG1
SCHEMBL1971581 0.86 USP2 (0.35) HTR4NCF1SMN1; SMN2
SCHEMBL1970098 0.83 PLG (0.35) HTR4NCF1
SCHEMBL1973209 0.79 DRD2 (0.41) HTR4KMT2APKM
SCHEMBL31732908 0.78 TDP1 (0.42) SMN1; SMN2MEN1KMT2A
SCHEMBL1971159 0.77 CYP3A4 (0.41) GAAMEN1KMT2ANPC1MAPT
SCHEMBL3295202 0.76 CYP4F2 (0.39) NCF1PKM
SCHEMBL5115690 0.75 CYP4F2 (0.44) SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US claimed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
US-7326705-B2 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
EP-1856114-A1 BENZISOXAZOLE DERIVATIVES Pfizer, Inc. (US) 2007-11-21 EP disclosed
WO-2006090224-A1 BENZISOXAZOLE DERIVATIVES PFIZER JAPAN INC. (JP) 2006-08-31 WO disclosed
EP-1224183-B1 HETEROCYCLIC SODIUM/PROTON EXCHANGE INHIBITORS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
US-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method AHMAD SALEEM (US) 2005-06-23 US disclosed
US-6887870-B1 Heterocyclic sodium/proton exchange inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-03 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 (2 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-20050137216-A1 Heterocyclic sodium/proton exchange inhibitors and method NHERF1, SLC9A3, SLC9A1 HTR4 508/4885NCF1 904/4885TPSAB1 2738/4885
US-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 HTR4 3/4885NCF1 2994/4885TPSAB1 202/4885

“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.