SCHEMBL14908533

SCHEMBL14908533

CN1OCCc2ccncc21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 1/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CYP3A4 P08684 1/20 0.32
PIM1 P11309 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
ADRA1A P35348 1/20 0.30
DRD3 P35462 1/20 0.30
CYP17A1 P05093 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP19A1 P11511 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 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
SCHEMBL14908542 0.86 CHRM2 (0.38) SIGMAR1CHRNB2CHRNA4CYP3A4PIM1
SCHEMBL13966512 0.78 SIGMAR1 (0.35) SIGMAR1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL13975852 0.78 SIGMAR1 (0.35) SIGMAR1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL10140330 0.73 MEN1 (0.44) SIGMAR1HTR2AHTR2CHTR2BCYP3A4
SCHEMBL256336 0.72 HTR2A (0.43) SIGMAR1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL12905336 0.69 HTR2A (0.41) SIGMAR1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL16998410 0.69 SIGMAR1 (0.48) SIGMAR1HTR2AHTR2CHTR2BCHRNB2
SCHEMBL13966514 0.68 SIGMAR1 (0.35) SIGMAR1CHRNB2CHRNA4CYP3A4
SCHEMBL13975828 0.68 CHRM2 (0.36) SIGMAR1CHRNB2CHRNA4CYP3A4CYP1A2
SCHEMBL929216 0.68 CHRNB2 (0.47) SIGMAR1HTR2AHTR2CHTR2BCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2770977-B1 NOVEL DOSAGE FORM NEUROVIVE PHARMACEUTICAL AB (SE) 2017-07-12 EP disclosed
US-9504728-B2 Dosage form NEUROVIVE PHARMACEUTICAL AB (SE) 2016-11-29 US disclosed
US-9139613-B2 Macrocyclic compounds and methods for their production NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-22 US disclosed
US-9119853-B2 Sanglifehrin based compounds NEUROVIVE PHARMACEUTICAL AB (SE) 2015-09-01 US disclosed
US-20140234414-A1 Novel Dosage Form Abliva Ab (SE) 2014-08-21 US disclosed
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production NEUROVIVE PHARMACEUTICAL AB (SE) 2014-02-06 US disclosed
WO-2013061052-A1 NOVEL DOSAGE FORM BIOTICA TECHNOLOGY LIMITED (GB) 2013-05-02 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 (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-20140234414-A1 Novel Dosage Form SI, RAB10, SAMM50 SIGMAR1 2125/4885HTR2A 2389/4885HTR2C 3663/4885
US-20140038885-A1 Macrocyclic Compounds and Methods for Their Production HAVCR2, RPL35, CD4 SIGMAR1 3849/4885HTR2A 4716/4885HTR2C 4326/4885

“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.