SCHEMBL327738

SCHEMBL327738

CC1NCCc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRCP P42785 8/20 0.61
GAA P10253 1/20 0.56
HTR2A P28223 1/20 0.56
HTR2C P28335 1/20 0.56
HTR2B P41595 1/20 0.56
DRD2 P14416 2/20 0.52
TSHR P16473 2/20 0.52
MAOA P21397 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP2C9 P11712 1/20 0.52
DRD3 P35462 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
DRD4 P21917 1/20 0.52
SLC22A1 O15245 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
GID4 Q8IVV7 1/20 0.51

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
SCHEMBL29658057 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL29658056 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL1011611 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL29658050 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL1010378 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL31069871 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
SCHEMBL29384464 1.00 PRCP (0.61) PRCPGAAHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2262788 0.98 PRCP (0.59) PRCPGAAHTR2AHTR2CHTR2B
Bromide SCHEMBL17674654 0.98 PRCP (0.59) PRCPGAAHTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL19349458 0.98 PRCP (0.59) PRCPGAAHTR2AHTR2CHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425434-A1 PREPARATION METHOD FOR 1,3-DISUBSTITUTED ALLENE COMPOUND AT ROOM TEMPERATURE BASED ON METAL CARBENE CATALYTIC SYSTEM SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2024-12-26 US claimed
CN-117427680-B Preparation method of aromatic amine and unsaturated quinoline derivative 烟台先进材料与绿色制造山东省实验室 2024-09-24 CN claimed
CN-114685369-B Method for preparing 1-methyl-1, 2,3, 4-tetrahydroisoquinoline by utilizing ionic liquid 河南省科学院高新技术研究中心 2024-02-02 CN claimed
CN-117427680-A Preparation method of aromatic amine and unsaturated quinoline derivative 烟台先进材料与绿色制造山东省实验室 2024-01-23 CN claimed
CN-115872825-A Preparation method of 1,3-disubstituted allene compound based on gold carbene catalytic system at room temperature 中国科学院上海有机化学研究所 2023-03-31 CN claimed
WO-2023046096-A1 PREPARATION METHOD FOR 1,3-DISUBSTITUTED ALLENE COMPOUND AT ROOM TEMPERATURE BASED ON METAL CARBENE CATALYTIC SYSTEM 中国科学院上海有机化学研究所 2023-03-30 WO claimed
CN-114685369-A Method for preparing 1-methyl-1, 2,3, 4-tetrahydroisoquinoline by using ionic liquid 河南省科学院高新技术研究中心 2022-07-01 CN claimed
CN-111621805-B Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2022-02-18 CN claimed
CN-111943134-A Room-temperature dehydrogenation reaction system of photocatalytic organic liquid hydrogen storage material and preparation method and application thereof 中国科学院理化技术研究所 2020-11-17 CN claimed
CN-111621805-A Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2020-09-04 CN claimed
EP-0946560-A1 METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESEROLINE ETHERS HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP claimed
EP-0900214-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES Yuhan Corporation (KR) 1999-03-10 EP claimed
EP-0869974-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1998-10-14 EP claimed
WO-1998027096-A1 METHOD OF PREPARATION OF PHYSOSTIGMINE CARBAMATE DERIVATIVES FROM ESEROLINE ETHERS HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO claimed
WO-1997042186-A1 PROCESS FOR PREPARATION OF PYRIMIDINE DERIVATIVES YUHAN CORPORATION (KR) 1997-11-13 WO claimed
US-5677457-A REACTING ESERETHOLE WITH LITHIUM BROMIDE AND HYDROBROMIC ACID TO FORM ESEROLINE COMPOUND, TREATING WITH ISOCYANATE OR CARBONYLDIIMIDAZOLE HOECHST MARION ROUSSEL, INC. (US) 1997-10-14 US claimed
US-5665880-A Method of preparation of physostigmine carbamate derivatives from eseretholes HOECHST MARION ROUSSEL, INC. (US) 1997-09-09 US claimed
WO-1997023508-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-07-03 WO claimed
CN-1121072-A Acetamides MERCK PATENG GES MIT BESCHRANK (DE) 1996-04-24 CN claimed
EP-0364996-A2 Phosphono-hydroisoquinoline compounds useful in reducing neurotoxic injury G.D. Searle & Co. (US) 1990-04-25 EP 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 (1 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-20240425434-A1 PREPARATION METHOD FOR 1,3-DISUBSTITUTED ALLENE COMPOUND AT ROOM TEMPERATURE BASED ON METAL CARBENE CATALYTIC SYSTEM ADH1A, CYP51A1, ADH1C PRCP 3169/4885GAA 3595/4885HTR2A 2527/4885

“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.