SCHEMBL2921118

SCHEMBL2921118

c1ccc2c3c(ncc2c1)CCCC3

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
BCHE P06276 6/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CACNB4 O00305 1/20 0.46
CACNA1A O00555 1/20 0.46
SLC22A2 O15244 1/20 0.46
SLC22A1 O15245 1/20 0.46
ABCC4 O15439 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNG3 O60359 1/20 0.46
CACNA1F O60840 1/20 0.46
CACNA1H O95180 1/20 0.46
APP P05067 1/20 0.46
FABP1 P07148 1/20 0.46
CHRM2 P08172 1/20 0.46

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
SCHEMBL29374271 1.00 ACHE (0.46) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL8088682 0.96 ACHE (0.46) ACHEBCHEALDH1A1TSHRHSD17B10
Perchlorate SCHEMBL3915050 0.90 ACHE (0.40) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL18576434 0.88 KDM4E (0.47) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL726973 0.75 KDM4E (0.39) KDM4EGPR3TDP1
SCHEMBL637592 0.73 KDM4E (0.40) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL7901264 0.72 KDM4E (0.39) ACHEBCHEALDH1A1TSHRHSD17B10
SCHEMBL10379077 0.72 UHRF1 (0.40) BCHEALDH1A1HSD17B10KDM4ECYP1A2
SCHEMBL22235250 0.72 HSD17B10 (0.42) ACHEBCHEALDH1A1HSD17B10KDM4E
SCHEMBL15647796 0.72 ATM (0.40) ACHEBCHEALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028581-A Preparation method of hydrogenated phenanthridine derivatives and application of hydrogenated phenanthridine derivatives in preparation of antitumor drugs 常州大学 2022-09-09 CN claimed
US-20260146047-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-28 US disclosed
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-26 US disclosed
CN-122071471-A Heterocyclic compounds 武田药品工业株式会社 2026-05-22 CN disclosed
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-05-19 US disclosed
EP-3617208-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2026-05-13 EP disclosed
CN-122010946-A Heterocyclic compounds 武田药品工业株式会社 2026-05-12 CN disclosed
CN-122010945-A Heterocyclic compounds 武田药品工业株式会社 2026-05-12 CN disclosed
US-20260092033-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2026-04-02 US disclosed
US-12590086-B2 3-((1H-pyrazol-4-yl)methyl)-6′-(phenyl)-2H-(1,2′-bipyridin)-2-one derivatives and related compounds as GPR139 antagonists for use in a method of treatment of e.g. depression TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2026-03-31 US disclosed
EP-1283199-A1 MELANIN-CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-02-12 EP disclosed
EP-1218336-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2002-07-03 EP disclosed
WO-2001021577-A2 MELANIN CONCENTRATING HORMONE ANTAGONIST TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-03-29 WO disclosed
US-5527805-A DNA-CLEAVING, CYTOTOXIC AND ANTI-TUMOR COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE (US) 1996-06-18 US disclosed
EP-0594624-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1994-05-04 EP disclosed
EP-0594624-A4 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE. SCRIPPS CLINIC RES (US) 1994-02-21 EP disclosed
US-5281710-A Antibiotics or antitumor agents THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-25 US disclosed
US-5276159-A Antitumor THE SCRIPPS RESEARCH INSTITUTE (US) 1994-01-04 US disclosed
WO-1992002522-A1 DYNEMICIN ANALOGS: SYNTHESES, METHODS OF PREPARATION AND USE SCRIPPS CLINIC AND RESEARCH FOUNDATION (US) 1992-02-20 WO disclosed
US-4081543-A ANTIAGRESSIVE, CENTRAL NERVOUS SYSTEM DEPRESSANTS SANDOZ LTD. (CH) 1978-03-28 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 (5 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-20260092033-A1 HETEROCYCLIC COMPOUND AND USE THEREOF HCRTR2, HCRTR1, MTNR1B ACHE 2739/4885BCHE 745/4885ALDH1A1 1588/4885
US-12590086-B2 3-((1H-pyrazol-4-yl)methyl)-6′-(phenyl)-2H-(1,2′-bipyridin)-2-one derivatives and related compounds as GPR139 antagonists for use in a method of treatment of e.g. depression GPR139, OPRL1, GRIN2C ACHE 229/4885BCHE 694/4885ALDH1A1 1460/4885
US-12637418-B2 Heterocyclic compounds as antagonist of NMDA GRIN1, GRIN3A, GRIN2A ACHE 690/4885BCHE 837/4885ALDH1A1 2319/4885
US-20260146047-A1 MACROCYCLIC HETEROCYCLE COMPOUNDS AND USE THEREOF HCRTR2, HCRTR1, NPY1R ACHE 3754/4885BCHE 1795/4885ALDH1A1 3220/4885
US-12630534-B2 1-((1H-pyrazol-4-yl)methyl)-3-(phenyl)-1,3-dihydro-2H-imidazol-2-one derivatives and related compounds as GPR139 antagonists for the treatment of e.g. depression GPR139, OPRL1, GRIN2C ACHE 291/4885BCHE 911/4885ALDH1A1 1685/4885

“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.