SCHEMBL1320202

SCHEMBL1320202

CN[C@H](C)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UGT2B7 P16662 1/20 0.59
▸ MMP9 P14780 1/20 0.56
▸ CYP2D6 P10635 7/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ SLC6A2 P23975 9/20 0.47
▸ SLC6A4 P31645 9/20 0.47
▸ SLC6A3 Q01959 9/20 0.47
▸ KCNH2 Q12809 8/20 0.47
▸ CYP3A4 P08684 6/20 0.47

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
SCHEMBL178531 1.00 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL13804034 1.00 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL12871846 0.85 UGT2B7 (0.61) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL28276305 0.83 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL19286311 0.83 UGT2B7 (0.59) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL23742881 0.82 UGT2B7 (0.62) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL15979349 0.82 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL19712487 0.82 UGT2B7 (0.57) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL30128757 0.82 MMP9 (0.63) UGT2B7MMP9CYP2D6MEN1CYP1A2
SCHEMBL2668985 0.82 CYP1A2 (0.52) UGT2B7MMP9CYP2D6MEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 — — US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 — — US disclosed
US-9750740-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors Kanos Pharmaceuticals, Inc. (US) 2017-09-05 — — US disclosed
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2017-04-06 — — US disclosed
US-9458110-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 — — US disclosed
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MEYERS SQUIBB COMPANY (US) 2016-01-21 — — US disclosed
US-9126944-B2 Phenylpyrazole derivatives as potent ROCK1 and ROCK2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-08 — — US disclosed
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2014-08-28 — — US disclosed
US-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-11-03 — — US disclosed
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-12 — — US disclosed
US-7713961-B2 Substituted 1,2-ethylenediamines, methods for preparing them and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-11 — — US disclosed
WO-2007130429-A2 HISTONE DEACETYLASE AND TUBULIN DEACETYLASE INHIBITORS THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-11-15 — — WO disclosed
WO-2007095584-A2 Histone Deacetylase Inhibitors THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-08-23 — — 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 (7 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-20110269834-A1 COMPOUNDS AND METHODS FOR TREATING RESPIRATORY DISEASES SARS1, ACE2, ACE UGT2B7 1455/4885MMP9 974/4885CYP2D6 1202/4885
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A UGT2B7 1593/4885MMP9 2393/4885CYP2D6 50/4885
US-20170095476-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A UGT2B7 1593/4885MMP9 2393/4885CYP2D6 50/4885
US-20100204160-A1 SUBSTITUTED 1,2-ETHYLENEDIAMINES, METHODS FOR PREPARING THEM AND USES THEREOF PSEN1, PSEN2, BACE1 UGT2B7 1333/4885MMP9 3632/4885CYP2D6 721/4885
US-20140243338-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK UGT2B7 3358/4885MMP9 1239/4885CYP2D6 3093/4885
US-20160016910-A1 PHENYLPYRAZOLE DERIVATIVES AS POTENT ROCK1 AND ROCK2 INHIBITORS ROCK1, ROCK2, MYLK UGT2B7 3358/4885MMP9 1239/4885CYP2D6 3093/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A UGT2B7 1593/4885MMP9 2393/4885CYP2D6 50/4885

“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.

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