SCHEMBL44671

SCHEMBL44671

CC1(C)OB(c2cc(Cl)ccc2N)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TP53 P04637 1/20 0.38
LIPE Q05469 1/20 0.36
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
EGFR P00533 2/20 0.34
LPL P06858 4/20 0.34
LIPG Q9Y5X9 4/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL29396514 1.00 CYP3A4 (0.43) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL771814 0.87 CYP3A4 (0.47) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL14900551 0.83 TP53 (0.38) CYP3A4TSHRALDH1A1TDP1TP53
SCHEMBL18113006 0.81 LPL (0.41) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL15180967 0.81 CYP3A4 (0.39) CYP3A4LIPEMAPK1EGFRLPL
SCHEMBL31554791 0.81 LPL (0.41) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL28601719 0.81 LPL (0.36) ALDH1A1LPLLIPGCA1CA2
SCHEMBL23045911 0.80 LIPE (0.43) ALDH1A1LIPEMAPK1HSD17B10GAA
SCHEMBL6519218 0.80 CYP3A4 (0.34) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2
SCHEMBL2101542 0.80 HSD17B10 (0.41) CYP3A4TSHRALDH1A1ALOX15SMN1; SMN2

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 236 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
US-12428421-B2 Pyrimidinones as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2025-09-30 US disclosed
CN-116283750-B Heterocyclic amide derivative and preparation method and application thereof 成都泰和伟业生物科技有限公司 2025-02-07 CN disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed
US-20240228465-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-11 US disclosed
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
US-11958856-B2 Substituted 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-ones as factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-04-16 US disclosed
US-11919881-B2 Substituted pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-03-05 US disclosed
US-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-12-19 US disclosed
EP-4286372-A2 PYRIMIDINONES AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2023-12-06 EP disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2014-01-23 US disclosed
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2013-12-19 US disclosed
WO-2013093484-A1 PYRIDINONE AND PYRIMIDINONE DERIVATIVES AS FACTOR XIA INHIBITORS ONO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 WO disclosed
EP-2591354-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
EP-2590656-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT Ardelyx, Inc. (US) 2013-05-15 EP disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012054110-A2 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-04-26 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 WO disclosed
WO-2012006475-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. (US) 2012-01-12 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-20240228465-A1 SUBSTITUTED PYRIDINE N-OXIDE DERIVATIVES USEFUL AS A FACTOR XIA INHIBITORS F11, F2, KLKB1 CYP3A4 260/4885TSHR 3799/4885ALDH1A1 3552/4885
US-11919881-B2 Substituted pyridine N-oxide derivatives useful as a factor XIa inhibitors F11, F2, KLKB1 CYP3A4 260/4885TSHR 3799/4885ALDH1A1 3552/4885
US-12428421-B2 Pyrimidinones as factor XIA inhibitors TFPI, TFPI2, F2 CYP3A4 990/4885TSHR 2886/4885ALDH1A1 2800/4885
US-11958856-B2 Substituted 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-ones as factor XIa inhibitors SERPINC1, SERPINE1, F11 CYP3A4 2342/4885TSHR 3824/4885ALDH1A1 2675/4885
US-20140023611-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC10A2, SLC34A2, SLC34A3 CYP3A4 1042/4885TSHR 4326/4885ALDH1A1 3332/4885
US-20130336920-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CYP3A4 582/4885TSHR 3105/4885ALDH1A1 2892/4885
US-11845748-B2 Bicyclic pyridine N-oxide derivatives useful as a factor XIa inhibitors F2, F11, KLKB1 CYP3A4 329/4885TSHR 4110/4885ALDH1A1 3910/4885

“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.