SCHEMBL18148459

SCHEMBL18148459

COC(=O)c1ccc2c(c1)OC1(CCN(C(=O)OC(C)(C)C)CC1)CC2O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.47
▸ PKM P14618 1/20 0.46
▸ GPR119 Q8TDV5 6/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.41
▸ TRPM8 Q7Z2W7 6/20 0.41
▸ TRPV1 Q8NER1 3/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL18159335 0.90 IDO1 (0.47) IDO1PKMGPR119HRH3NAMPT
SCHEMBL18148436 0.86 IDO1 (0.43) IDO1TRPM8TRPV1
SCHEMBL25342059 0.86 IDO1 (0.47) IDO1PKMGPR119HRH3TRPM8
SCHEMBL25339942 0.85 IDO1 (0.45) IDO1PKMGPR119HRH3TRPM8
SCHEMBL25340767 0.85 IDO1 (0.45) IDO1PKMGPR119HRH3TRPM8
SCHEMBL1690860 0.85 IDO1 (0.47) IDO1GPR119HRH3TRPM8TRPV1
SCHEMBL31236009 0.85 IDO1 (0.54) IDO1GPR119HRH3
SCHEMBL12482111 0.83 IDO1 (0.58) IDO1GPR119HRH3TRPM8TRPV1
SCHEMBL20096619 0.82 IDO1 (0.56) IDO1PKMGPR119HRH3
SCHEMBL11489958 0.82 IDO1 (0.38) IDO1TRPM8TRPV1ALDH1A1

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-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 — — US disclosed
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 — — US disclosed
US-9637453-B2 3-spirocyclic-6-hydroxamic acid tetralins as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2017-05-02 — — US disclosed
WO-2016168598-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 — — WO disclosed
WO-2016168598-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-10-20 — — WO disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-10-20 — — US disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-10-20 — — US disclosed
US-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS VALO HEALTH, INC. 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-20160304456-A1 3-SPIROCYCLIC-6-HYDROXAMIC ACID TETRALINS AS HDAC INHIBITORS HDAC1, HDAC11, HDAC6 IDO1 811/4885PKM 2057/4885GPR119 1203/4885

“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.

Send feedback