SCHEMBL17608949

SCHEMBL17608949

OC1CNCCC12CCN(Cc1ccccc1)C2

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 2/20 0.49
SIGMAR1 Q99720 3/20 0.45
OPRL1 P41146 1/20 0.43
DOCK5 Q9H7D0 2/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.42
KDM1A O60341 1/20 0.41
MAOB P27338 1/20 0.41
RCOR1 Q9UKL0 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
SCHEMBL16862199 0.92 TSHR (0.58) TSHRMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL19325429 0.77 DOCK5 (0.46) TSHRALDH1A1CYP2D6CYP3A4SIGMAR1
SCHEMBL9566402 0.75 OPRL1 (0.48) TSHRMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL1188949 0.74 FUCA1 (0.53) TSHRMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL19341570 0.74 USP2 (0.52) TSHRMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL735073 0.73 ALDH1A1 (0.54) TSHRMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL4589959 0.73 CYP2D6 (0.83) TSHRMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL16984334 0.73 ACHE (0.51) TSHRMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL735072 0.73 ALDH1A1 (0.54) TSHRMEN1ALDH1A1KMT2ACYP3A4
SCHEMBL13873260 0.73 TSHR (0.51) TSHRMEN1ALDH1A1CYP2C9CYP2C19

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-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-9908897-B2 Spirocyclic derivatives CHRONOS THERAPEUTICS LIMITED (GB) 2018-03-06 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
US-20170253615-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2017-09-07 US disclosed
EP-3201195-A1 SPIROCYCLIC DERIVATIVES Chronos Therapeutics Limited (GB) 2017-08-09 EP disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 WO disclosed
WO-2016042452-A1 Spirocyclic derivatives SHIRE INTERNATIONAL GMBH (CH) 2016-03-24 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 (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-20170253615-A1 Spirocyclic derivatives SLC6A3, SLC10A1, ABCB11 TSHR 340/4885MEN1 1831/4885ALDH1A1 549/4885

“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.