SCHEMBL1120445

SCHEMBL1120445

NCCn1ccc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.76
CCND1 P24385 4/20 0.76
LMNA P02545 1/20 0.66
HTR2A P28223 1/20 0.59
HTR2C P28335 1/20 0.59
HTR6 P50406 1/20 0.53
KMT2A Q03164 1/20 0.52
MAPK1 P28482 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 1/20 0.49
DAO P14920 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL6258190 0.98 CDK4 (0.73) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL135070 0.88 CDK4 (0.78) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL11366447 0.87 CDK4 (1.00) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL4869090 0.86 CDK4 (0.81) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL9703488 0.85 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL5989829 0.85 CDK4 (0.82) CDK4CCND1LMNAHTR2AHTR2C
Indole SCHEMBL11663600 0.84 CDK4 (0.54) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL29379363 0.83 CDK4 (0.76) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL17822342 0.83 CDK4 (0.76) CDK4CCND1LMNAHTR2AHTR2C
SCHEMBL32678603 0.83 CDK4 (0.68) CDK4CCND1LMNAHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118984868-A Genetically modified organisms for the production of psychotropic alkaloids 恩派瑞安神经科学公司 2024-11-19 CN claimed
US-20230416794-A1 Engineered Microorganisms for Producing Substituted Tryptamines ALGAE C INC (CA) 2023-12-28 US claimed
EP-4244333-A1 ENGINEERED MICROORGANISMS FOR PRODUCING SUBSTITUTED TRYPTAMINES Algae-C Inc. (CA) 2023-09-20 EP claimed
WO-2022099424-A1 ENGINEERED MICROORGANISMS FOR PRODUCING SUBSTITUTED TRYPTAMINES ALGAE-C INC. (CA) 2022-05-19 WO claimed
CN-113321655-A Preparation and application of evodia rutaecarpa botanical insecticide 天津农学院 2021-08-31 CN claimed
CN-111792962-A Iron fertilizer for improving soil property and preparation and use methods thereof 江西普瑞丰生态科技有限公司 2020-10-20 CN claimed
CN-102532218-A Strictosidine-like alkaloid as well as preparation method and application thereof UNIV ZHEJIANG 2012-07-04 CN claimed
WO-2000070027-A1 MATERIALS AND METHODS FOR ENZYMATIC N-ACETYLATION OF ARYLALKYLAMINES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTHA ND HUMAN SERVICES (US) 2000-11-23 WO claimed
WO-2025049640-A1 MACROLIDE-NOX4 CONJUGATES AND USES THEREOF THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2025-03-06 WO disclosed
US-20250017936-A1 CELL-POTENT BISUBSTRATE INHIBITORS FOR NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) AND USES THEREOF PURDUE RESEARCH FOUNDATION 2025-01-16 US disclosed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
CN-118984868-A Genetically modified organisms for the production of psychotropic alkaloids 恩派瑞安神经科学公司 2024-11-19 CN disclosed
EP-4436566-A1 CELL-POTENT BISUBSTRATE INHIBITORS FOR NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) AND USES THEREOF Purdue Research Foundation (US) 2024-10-02 EP disclosed
CN-117486777-A Indoloethylamine derivative and preparation method and application thereof 浙江中医药大学 2024-02-02 CN disclosed
US-5750724-A SEROTONIN 5-HT REUPTAKE INHIBITORS; ANTIDEPRESSANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-05-12 US disclosed
WO-1997017343-A1 INDOLEALKYL DERIVATIVES OF BENZODIOXANMETHYLAMINE AS 5-HT1A RECEPTOR LIGANDS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-05-15 WO disclosed
EP-0240352-A2 5-Fluorouracil derivatives and processes for producing thereof Chisso Corporation (JP) 1987-10-07 EP disclosed
US-4210590-A WITH BORANE COMPLEX REAGENT IN PRESENCE OF TRIFLUOROACETIC ACID MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-01 US disclosed
US-4076530-A Dry photographic copying method for producing Te images FUJI PHOTO FILM CO., LTD. (JA) 1978-02-28 US disclosed
US-4062685-A ORGANO-TELLURIUM COMPOUND FUJI PHOTO FILM CO., LTD. (JA) 1977-12-13 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 (2 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-20250017936-A1 CELL-POTENT BISUBSTRATE INHIBITORS FOR NICOTINAMIDE N-METHYLTRANSFERASE (NNMT) AND USES THEREOF NNMT, NAMPT, NNT CDK4 1851/4885CCND1 2978/4885LMNA 4161/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CDK4 2187/4885CCND1 2556/4885LMNA 4108/4885

“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.