SCHEMBL2877256

SCHEMBL2877256

O=C1CCCc2cnccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.53
MAOB P27338 4/20 0.53
CYP2A6 P11509 1/20 0.53
SIGMAR1 Q99720 1/20 0.52
PRKCI P41743 1/20 0.47
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
HSD17B1 P14061 1/20 0.42
ROCK2 O75116 1/20 0.40
GRK2 P25098 1/20 0.40
GRM5 P41594 1/20 0.40
BAZ2B Q9UIF8 1/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CHRNB2 P17787 1/20 0.38

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
SCHEMBL31128508 1.00 MAOA (0.53) MAOAMAOBCYP2A6SIGMAR1PRKCI
Hydrochloric Acid SCHEMBL2883050 0.98 MAOA (0.52) MAOAMAOBCYP2A6SIGMAR1PRKCI
SCHEMBL11265174 0.96 SIGMAR1 (0.57) MAOAMAOBCYP2A6SIGMAR1PRKCI
SCHEMBL4323285 0.88 CYP1A2 (0.53) MAOAMAOBCYP2A6SIGMAR1CYP1A2
SCHEMBL29792666 0.88 CYP1A2 (0.53) MAOAMAOBCYP2A6SIGMAR1CYP1A2
SCHEMBL3599167 0.84 MAOA (0.53) MAOAMAOBCYP2A6SIGMAR1PRKCI
SCHEMBL29649256 0.84 MAOA (0.53) MAOAMAOBCYP2A6SIGMAR1PRKCI
Hydrochloric Acid SCHEMBL7258529 0.82 MAOA (0.52) MAOAMAOBCYP2A6SIGMAR1PRKCI
SCHEMBL8123725 0.80 SIGMAR1 (0.57) MAOAMAOBCYP2A6SIGMAR1PRKCI
SCHEMBL15813775 0.76 CDC7 (0.48) SIGMAR1PKN1PKN2ROCK2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026104424-A1 SARM1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2026-05-21 WO disclosed
WO-2026090477-A1 HELICASE INHIBITORS AND USES THEREOF KIMIA THERAPEUTICS, INC. (US) 2026-04-30 WO disclosed
EP-4731626-A1 PI3K INHIBITORS AND USE THEREOF Regor Pharmaceuticals, Inc. (US) 2026-04-29 EP disclosed
WO-2024260464-A1 PI3K INHIBITORS AND USE THEREOF REGOR PHARMACEUTICALS, INC. (US) 2024-12-26 WO disclosed
CN-116444517-B Carboxamide compound and application thereof in preparation of deubiquitinase USP28 inhibitor 苏州大学 2024-06-21 CN disclosed
US-12006323-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2024-06-11 US disclosed
CN-116444517-A Carboxamide compound and application thereof in preparation of deubiquitinase USP28 inhibitor 苏州大学 2023-07-18 CN disclosed
EP-2922535-B1 THROMBIN INHIBITORS MERCK SHARP & DOHME (US) 2021-11-10 EP disclosed
US-11034699-B2 Ethynyl derivatives HOFFMANN-LA ROCHE INC. (US) 2021-06-15 US disclosed
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
WO-2002076950-A2 IMIDIAZOLE DERIVATIVES AND THEIR USE AS AGONISTS SELECTIVE AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2002-10-03 WO disclosed
US-6329369-B1 ANALGESICS FOR TREATING GLAUCOMA OR ELEVATED PRESSURE AND OTHER DISEASES WITH REDUCED SIDE EFFECTS BY TREATING A MAMMAL IN NEED THEREOF AN AGONIST OF ALPHA 2B OR ALPHA 2B/2C ADRENERGIC RECEPTOR ALLERGAN SALES, INC. 2001-12-11 US disclosed
EP-1104407-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2001-06-06 EP disclosed
WO-2001000586-A1 COMPOUNDS AS SELECTIVE AGONISTS AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 2001-01-04 WO disclosed
EP-1036065-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS Allergan Sales, Inc. (US) 2000-09-20 EP disclosed
US-6057329-A Fused polycyclic 2-aminopyrimidine derivatives CELLTECH THERAPEUTICS LIMITED (GB) 2000-05-02 US disclosed
EP-0946523-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-06 EP disclosed
WO-1999028300-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES HAVING AGONIST-LIKE ACTIVITY AT ALPHA 2B OR 2B/2C ADRENERGIC RECEPTORS ALLERGAN SALES, INC. (US) 1999-06-10 WO disclosed
WO-1998028281-A1 FUSED POLYCYCLIC 2-AMINOPYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS PROTEIN TYROSINE KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-07-02 WO disclosed
US-5304554-A Intercalators of DNA, inhibit replication of retroviruses EMORY UNIVERSITY (US) 1994-04-19 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-11034699-B2 Ethynyl derivatives GRM4, GRM2, GRIA4 MAOA 3240/4885MAOB 2785/4885CYP2A6 4326/4885
US-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 MAOA 825/4885MAOB 575/4885CYP2A6 2724/4885
US-12006323-B2 Ethynyl derivatives GRM4, GRM2, GRIA4 MAOA 3240/4885MAOB 2785/4885CYP2A6 4326/4885

“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.