SCHEMBL18145102

SCHEMBL18145102

NC(=O)c1ccc2c(c1)CC(O)C1(CCNCC1)O2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.39
OPRD1 P41143 5/20 0.39
OPRK1 P41145 4/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
TSHR P16473 1/20 0.38
KDM1A O60341 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
NNMT P40261 2/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
SMYD3 Q9H7B4 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
HASPIN Q8TF76 1/20 0.32
CDK19 Q9BWU1 1/20 0.32

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
SCHEMBL31628073 0.72 TSHR (0.49) OPRM1OPRD1OPRK1CYP2D6KCNH2
SCHEMBL18153950 0.71 TDP1 (0.41) OPRM1OPRD1KDM1ATDP1SMYD3
SCHEMBL17877817 0.69 OPRM1 (0.41) OPRM1OPRD1OPRK1TSHRKDM1A
SCHEMBL31657080 0.67 KDM1A (0.44) OPRM1OPRD1OPRK1CYP2D6KCNH2
SCHEMBL22789664 0.67 KDM1A (0.44) OPRM1OPRD1OPRK1CYP2D6KCNH2
SCHEMBL3782343 0.66 COXFA4 (0.49) CYP2D6KCNH2TSHRKDM1ASIRT2
SCHEMBL10431871 0.66 HIF1A (0.49) TDP1
SCHEMBL4508858 0.66 HDAC3 (0.58) OPRM1OPRD1OPRK1CYP2D6KCNH2
SCHEMBL8691132 0.65 TDP1 (0.74) TSHRTDP1HTR1AHTR1DHTR2C
SCHEMBL15947248 0.64 TSHR (0.43) OPRM1OPRD1OPRK1TSHRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630922-B2 3-spiro-7-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
WO-2016168660-A1 3-SPIRO-7-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 WO disclosed
US-20160304462-A1 3-SPIRO-7-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS Valo Health, LLC 2016-10-20 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 (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-20160304462-A1 3-SPIRO-7-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS HDAC7, HDAC6, HDAC1 OPRM1 4852/4885OPRD1 4471/4885OPRK1 4684/4885

“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.