SCHEMBL12124759

SCHEMBL12124759

CC1OC2(CCN(C)CC2)C2C1N2S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ CYP3A4 P08684 2/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ HTR6 P50406 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PKLR P30613 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TRPA1 O75762 1/20 0.34

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
SCHEMBL1328129 0.71 KDM4E (0.41) HTR2AHTR2CCYP3A4CYP2D6HTR6
SCHEMBL1327465 0.71 TRPA1 (0.41) HTR2AHTR2CCYP3A4CYP2D6HTR6
SCHEMBL1327443 0.66 TRPA1 (0.44) HTR2AHTR2CCYP3A4CYP2D6HTR6
SCHEMBL424172 0.65 PKM (0.71) PKMMEN1KMT2ATSHRATM
SCHEMBL21442061 0.65 ACHE (0.62) CYP2D6PKMMEN1KMT2APKLR
SCHEMBL21441975 0.65 ACHE (0.62) CYP2D6PKMMEN1KMT2APKLR
SCHEMBL19013821 0.65 AKR1C3 (0.51) HTR2AHTR2CCYP3A4HTR6PKM
SCHEMBL9965987 0.65 HTR2A (0.58) HTR2AHTR2C
SCHEMBL21442038 0.63 ACHE (0.43) CYP2D6PKMMEN1KMT2ATSHR
SCHEMBL5751186 0.62 MMP2 (0.42) HTR2AHTR2CCYP3A4CYP2D6HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389383-B1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RES (IL) 2019-04-24 — — EP disclosed
US-9034891-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2015-05-19 — — US disclosed
US-9034891-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2015-05-19 — — US disclosed
US-8673931-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2014-03-18 — — US disclosed
US-8673931-B2 Bicyclic heterocyclic spiro compounds ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2014-03-18 — — US disclosed
US-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2013-08-29 — — US disclosed
US-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2013-08-29 — — US disclosed
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2011-11-17 — — US disclosed
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2011-11-17 — — US disclosed
WO-2010084499-A9 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2010-12-09 — — WO disclosed
WO-2010084499-A2 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2010-07-29 — — 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-20130225624-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS CHRM3, CHRM1, CHRM2 HTR2A 222/4885HTR2C 148/4885CYP3A4 533/4885
US-20110281903-A1 BICYCLIC HETEROCYCLIC SPIRO COMPOUNDS GPR119, CHRM2, CHRM1 HTR2A 178/4885HTR2C 303/4885CYP3A4 1961/4885

“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