SCHEMBL3497387

SCHEMBL3497387

O=C1c2ccccc2CCC12CCCNC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.54
HTR2A P28223 11/20 0.54
HTR2C P28335 10/20 0.54
HTR2B P41595 10/20 0.54
DRD2 P14416 10/20 0.47
PDPK1 O15530 1/20 0.40
PARP1 P09874 1/20 0.40
PARP10 Q53GL7 1/20 0.40
PARP11 Q9NR21 1/20 0.40
CYP2A6 P11509 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3498053 0.94 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL1222274 0.86 POLB (0.45) SIGMAR1HTR2AHTR2CHTR2BPOLB
SCHEMBL18494688 0.82 SIGMAR1 (0.70) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL8778970 0.82 SIGMAR1 (0.70) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL1912704 0.81 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7500484 0.80 SIGMAR1 (0.68) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL18494326 0.78 SIGMAR1 (0.74) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL31059131 0.78 HTR2A (0.54) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL4882972 0.78 HTR2A (0.54) SIGMAR1HTR2AHTR2CHTR2BDRD2
SCHEMBL7943845 0.75 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2CHTR2BDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
US-20100160255-A1 SPIRO-CYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-24 US disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911753-A1 SPIRO-CYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP 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-20100160255-A1 SPIRO-CYCLIC COMPOUND ACACA, CPT1B, PC SIGMAR1 3964/4885HTR2A 4710/4885HTR2C 4745/4885

“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.