SCHEMBL3890873

SCHEMBL3890873

CCc1cccc(C(=O)Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
BCL2 P10415 1/20 0.50
KAT6A Q92794 2/20 0.48
SMYD3 Q9H7B4 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
CYP4F2 P78329 3/20 0.46
CYP4A11 Q02928 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
FOLH1 Q04609 1/20 0.44
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MGLL Q99685 1/20 0.41

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
SCHEMBL3892580 0.85 KAT6A (0.50) CNR2KAT6ALOXL2CYP4F2CYP4A11
SCHEMBL4950108 0.83 ALDH1A1 (0.48) LOXL2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL11611076 0.83 CNR2 (0.62) CNR2BCL2KAT6ASMYD3LOXL2
SCHEMBL8087128 0.82 CYP4F2 (0.51) CYP4F2CYP4A11SMN1; SMN2
SCHEMBL30394310 0.82 BCL2 (0.66) BCL2ALDH1A1FOLH1TP53PKM
SCHEMBL29472003 0.82 TSHR (0.47) LOXL2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL16240333 0.82 PRSS1 (0.55) CNR2SMYD3LOXL2CYP4F2CYP4A11
SCHEMBL39676 0.82 TSHR (0.47) LOXL2CYP4F2CYP4A11ALDH1A1TSHR
SCHEMBL46935 0.82 BCL2 (0.66) BCL2ALDH1A1FOLH1TP53PKM
SCHEMBL8099947 0.82 BCL2 (0.51) CNR2BCL2KAT6ASMYD3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115626894-B Lappaconitine derivative with analgesic activity, and preparation method and application thereof 西南交通大学 2025-04-18 CN disclosed
US-11840517-B2 Lappaconitine derivative with analgesic activity, and preparation and application thereof SOUTHWEST JIAOTONG UNIVERSITY (CN) 2023-12-12 US disclosed
CN-115626894-A Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2023-01-20 CN disclosed
CN-113105391-B Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2022-12-16 CN disclosed
CN-110372571-B 2- (2, 2-diarylethyl) -cyclic amine derivative or salt, synthesis and application thereof, and composition 中国科学院大连化学物理研究所 2022-11-15 CN disclosed
WO-2022129047-A2 NOVEL MODULATORS OF THE NMDA RECEPTOR H. LUNDBECK A/S (DK) 2022-06-23 WO disclosed
US-20220144779-A1 LAPPACONITINE DERIVATIVE WITH ANALGESIC ACTIVITY, AND PREPARATION AND APPLICATION THEREOF SOUTHWEST JIAOTONG UNIVERSITY (CN) 2022-05-12 US disclosed
CN-113105391-A Lappaconitine derivative with analgesic activity and preparation method and application thereof 西南交通大学 2021-07-13 CN disclosed
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
US-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF DALIAN INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2021-05-27 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed
WO-2001074811-A2 SUBSTITUTED 1,3-THIAZOLE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
WO-1998005961-A1 COMPOUNDS HAVING A PLURALITY OF NITROGENOUS SUBSTITUENTS ISIS PHARMACEUTICALS, INC. (US) 1998-02-12 WO disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed
EP-0461809-B1 Dibenzoylalkylcyanohydrazines ROHM & HAAS (US) 1994-12-07 EP disclosed
EP-0461809-A1 Dibenzoylalkylcyanohydrazines ROHM AND HAAS COMPANY (US) 1991-12-18 EP disclosed
US-4003909-A [(1,2,4-Oxadiazol-3-yl)phenyl]carbamic or thiocarbamic acid esters E. R. SQUIBB & SONS, INC. (US) 1977-01-18 US disclosed
US-3939162-A Anthrapyrimidine dyes BASF AKTIENGESELLSCHAFT (DT) 1976-02-17 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 (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-20210155591-A1 2-(2,2-DIARYLETHYL)-CYCLIC AMINE DERIVATIVE OR SALT, SYNTHESIS THEREOF, AND APPLICATION AND COMPOSITION THEREOF CHRNB2, ADRB2, CHRNB1 CNR2 69/4885BCL2 2607/4885KAT6A 3993/4885
US-11840517-B2 Lappaconitine derivative with analgesic activity, and preparation and application thereof LPXN, ACHE, OPRL1 CNR2 811/4885BCL2 4307/4885KAT6A 2339/4885
US-20220144779-A1 LAPPACONITINE DERIVATIVE WITH ANALGESIC ACTIVITY, AND PREPARATION AND APPLICATION THEREOF LPXN, ACHE, OPRL1 CNR2 811/4885BCL2 4307/4885KAT6A 2339/4885

“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.