SCHEMBL7478368

SCHEMBL7478368

Clc1nn2c(-c3cc(COC4CCCCO4)on3)nnc2c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 13/20 0.42
GABRB3 P28472 13/20 0.42
GABRA5 P31644 13/20 0.42
GABRA3 P34903 13/20 0.42
GABRA2 P47869 13/20 0.42
GABRA1 P14867 12/20 0.42
GABRA4 P48169 1/20 0.42
GABRA6 Q16445 1/20 0.42
RXFP1 Q9HBX9 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CACNA2D1 P54289 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
APAF1 O14727 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL26188041 0.91 GABRA1 (0.37) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7485857 0.89 GABRA1 (0.42) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7474696 0.82 GABRA1 (0.51) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL21362800 0.81 GABRG2 (0.50) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL7478373 0.80 RXFP1 (0.38) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL18973181 0.79 GABRA1 (0.48) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL18973246 0.78 GABRA1 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL22028101 0.78 GABRA1 (0.47) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL18973352 0.78 GABRG2 (0.49) GABRG2GABRB3GABRA5GABRA3GABRA2
SCHEMBL18973249 0.78 GABRA5 (0.46) GABRG2GABRB3GABRA5GABRA3GABRA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
EP-3388433-B1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI SIMR BIOTECH CO LTD (CN) 2023-08-30 EP disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
US-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof SHANGHAI SIMR BIOTECH CO., LTD. (CN) 2022-01-11 US disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof SHANGHAI SIMRD BIOTECHNOLOGY. CO., LTD. (CN) 2020-05-28 US disclosed
EP-3388433-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Simr Biotech Co., Ltd (CN) 2018-10-17 EP disclosed
WO-2017097217-A1 PHTHALAZINE DERIVATIVES, AND PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2017-06-15 WO disclosed
EP-0986562-B1 SUBSTITUTED 1,2,4-TRIAZOLO 3,4-A]PHTHALAZINE DERIVATIVES AS GABA ALPHA 5 LIGANDS MERCK SHARP & DOHME (GB) 2002-08-07 EP disclosed
US-6310203-B1 Precursor compounds to substituted 1,2,4-triazolo[3,4,-a]phathalazine GABA alpha 5 ligands MERCK SHARPE & DOHME LIMITED (GB) 2001-10-30 US disclosed
US-6200975-B1 FOR COGNITION ENHANCEMENT THERAPY MERCK SHARP & DOHME LIMITED (GB) 2001-03-13 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-11220503-B2 Phthalazine derivatives, preparation method, pharmaceutical composition and usage thereof GABRA5, CYP3A5, GABRA1 GABRG2 23/4885GABRB3 21/4885GABRA5 1/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 GABRG2 23/4885GABRB3 21/4885GABRA5 1/4885

“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.