SCHEMBL4305

SCHEMBL4305

C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@](Cl)(OO)c1ccnc2ccc(OC)cc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.63
KDM4E B2RXH2 8/20 0.63
ALDH1A1 P00352 5/20 0.63
SLC22A1 O15245 3/20 0.63
ABCB11 O95342 3/20 0.63
ABCB1 P08183 3/20 0.63
ADRA2A P08913 3/20 0.63
SLC6A4 P31645 3/20 0.63
OPRM1 P35372 3/20 0.63
SCN1A P35498 3/20 0.63
KCNH2 Q12809 3/20 0.63
SCN2A Q99250 3/20 0.63
SCN3A Q9NY46 3/20 0.63
CYP3A4 P08684 3/20 0.63
HSD17B10 Q99714 3/20 0.63
SLC22A2 O15244 2/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
THRB P10828 1/20 0.63
ABCC4 O15439 1/20 0.63

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
Sulfuric Acid SCHEMBL19100311 0.96 KDM4E (0.66) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL669873 0.90 CYP2D6 (0.64) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL1612723 0.90 CYP2D6 (0.60) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL22862890 0.88 KDM4E (0.66) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL9614099 0.87 CYP2D6 (0.57) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL15239796 0.87 KDM4E (0.64) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL789401 0.86 KDM4E (0.59) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL5611090 0.85 CYP2D6 (0.58) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL2150774 0.84 KDM4E (0.61) CYP2D6KDM4EALDH1A1SLC22A1ABCB11
SCHEMBL4278098 0.84 CYP2D6 (0.65) CYP2D6KDM4EALDH1A1SLC22A1ABCB11

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 1119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3829569-B1 SPINOSYN FORMULATIONS FOR USE IN THE TREATMENT OF DEMODEX-INDUCED OCULAR CONDITIONS APERTA BIOSCIENCES LLC (US) 2025-09-03 EP claimed
CN-120166987-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2025-06-17 CN claimed
US-20240390375-A1 METHODS AND COMPOSITIONS FOR TREATING VIRAL OR VIRALLY-INDUCED CONDITIONS Viracta Subsidiary, Inc. (US) 2024-11-28 US claimed
US-20240287136-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF IN THE TREATMENT OF AUTOIMMUNE DISEASES SINGAPORE HEALTH SERVICES PTE. LTD. (SG) 2024-08-29 US claimed
CN-118317951-A Phthalazine derivatives as pyruvate kinase modulators 西特瑞治疗有限公司 2024-07-09 CN claimed
EP-4340884-A1 TREATMENT OF INFECTIONS IN AND AROUND THE EYE University of Miami (US) 2024-03-27 EP claimed
US-20230233576-A1 ECLITASERTIB FOR USE IN TREATING CONDITIONS INVOLVING SYSTEMIC HYPERINFLAMMATORY RESPONSE GENZYME CORPORATION 2023-07-27 US claimed
CN-116367828-A Antiviral pharmaceutical composition containing targeting nanoparticles and having synergistic effect 新科生医股份有限公司 2023-06-30 CN claimed
EP-4135705-A1 ECLITASERTIB FOR USE IN TREATING CONDITIONS INVOLVING SYSTEMIC HYPERINFLAMMATORY RESPONSE GENZYME CORPORATION (US) 2023-02-22 EP claimed
WO-2022245950-A1 TREATMENT OF INFECTIONS IN AND AROUND THE EYE UNIVERSITY OF MIAMI (US) 2022-11-24 WO claimed
EP-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP claimed
WO-2010034003-A2 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 WO claimed
WO-2010034011-A2 PHENYLTHIOPHENYLDIHYDROBENZOTHIAZEPINE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-03-25 WO claimed
WO-2009129335-A2 SELECTIVE INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-10-22 WO claimed
WO-2009076454-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-06-18 WO claimed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO claimed
WO-2007109178-A9 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS INC (US) 2008-10-16 WO claimed
WO-2008061160-A1 USES OF SELECTIVE INHIBITORS OF HDAC8 FOR TREATMENT OF INFLAMMATORY CONDITIONS PHARMACYCLICS, INC. (US) 2008-05-22 WO claimed
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-12-06 US claimed
WO-2007109178-A2 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2007-09-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20230233576-A1 ECLITASERTIB FOR USE IN TREATING CONDITIONS INVOLVING SYSTEMIC HYPERINFLAMMATORY RESPONSE RIPK1, RIPK2, RIPK3 CYP2D6 4394/4885KDM4E 3696/4885ALDH1A1 4798/4885
US-20240287136-A1 PHARMACEUTICAL COMPOSITION AND THE USE THEREOF IN THE TREATMENT OF AUTOIMMUNE DISEASES QPCTL, QARS1, QPCT CYP2D6 440/4885KDM4E 40/4885ALDH1A1 1297/4885
US-20070281934-A1 INDOLE DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE HDAC8, HDAC1, HDAC2 CYP2D6 4221/4885KDM4E 275/4885ALDH1A1 1362/4885

“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.