SCHEMBL1346121

SCHEMBL1346121

COc1cc(Br)cc(CC2CCN(C(=O)O)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
MAPK14 Q16539 3/20 0.47
NPC1 O15118 1/20 0.44
CCR3 P51677 2/20 0.43
RYR2 Q92736 1/20 0.42
POLB P06746 2/20 0.42
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR2B P41595 2/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL1346059 0.87 SLC6A4 (0.55) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL11949129 0.84 ALDH1A1 (0.48)
SCHEMBL1346330 0.81 GRIN2D (0.42) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL27798463 0.81 HTR1A (0.38) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL4958207 0.80 MEN1 (0.65) MEN1KMT2ASMN1; SMN2CYP2C9CYP2C19
SCHEMBL1896056 0.77 EPHX2 (0.45) KMT2ASMN1; SMN2
SCHEMBL27803883 0.76 TACR3 (0.51) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL11949149 0.75 SLC6A4 (0.47) SMN1; SMN2HTR1ASLC6A4
SCHEMBL23365143 0.75 CYP2C9 (0.52) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL17748901 0.75 CCR3 (0.53) MEN1KMT2ACYP2C9CYP2C19MAPK14

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-20130303786-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO (JP) 2013-11-14 US disclosed
US-8557998-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2013-10-15 US disclosed
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-10-11 US disclosed
US-8232405-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-31 US disclosed
US-8063223-B2 Benzylpiperizine compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-11-22 US disclosed
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-05-19 US disclosed
EP-2239254-A1 BENZYLPIPERIZINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-13 EP disclosed
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-05-06 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-20130303786-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MEN1 3364/4885KMT2A 669/4885SMN1; SMN2 2789/4885
US-20100113792-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MEN1 3364/4885KMT2A 669/4885SMN1; SMN2 2789/4885
US-20120259122-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MEN1 3364/4885KMT2A 669/4885SMN1; SMN2 2789/4885
US-20110118312-A1 BENZYLPIPERIZINE COMPOUND OPRM1, GRM1, CHRM1 MEN1 3364/4885KMT2A 669/4885SMN1; SMN2 2789/4885

“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.