SCHEMBL6659482

SCHEMBL6659482

O=C1c2ccccc2C(=O)N1[C@H]1CCC[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 7/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 2/20 0.44
CHRM2 P08172 1/20 0.44
OPRM1 P35372 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
IKZF3 Q9UKT9 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
MC4R P32245 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 2/20 0.40

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
SCHEMBL3839500 1.00 SLC18A3 (0.44) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL3839504 1.00 SLC18A3 (0.44) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL5422025 0.96 ALDH1A1 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL20703762 0.96 ALDH1A1 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL8829142 0.96 ALDH1A1 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL5422028 0.96 ALDH1A1 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL250436 0.89 SLC18A3 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL12446288 0.89 SLC18A3 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL17226159 0.89 SLC18A3 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2
SCHEMBL10048505 0.89 SLC18A3 (0.46) SLC18A3ALDH1A1TSHRCYP1A2CHRM2

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 15 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
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-1457495-A1 Adenosine A1 receptor agonists GLAXO GROUP LIMITED (GB) 2004-09-15 EP disclosed
EP-1030857-B1 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2004-08-18 EP disclosed
US-6455510-B1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2002-09-24 US disclosed
US-6407076-B1 ANTIISCHEMIC, ANTILIPOLYTIC, ANTICONVULSANT AND HYPOTENSIVE AGENTS; CARDIOVASCULAR AND NERVOUS SYSTEM DISORDERS; ATHEROSCLEROSIS SMITHKLINE BEECHAM CORPORATION 2002-06-18 US disclosed
EP-1030857-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-30 EP disclosed
EP-1027363-A2 ADENOSINE A1-RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 2000-08-16 EP disclosed
WO-1999024450-A2 ADENSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO disclosed
WO-1999024449-A2 ADENOSINE A1 RECEPTOR AGONISTS GLAXO GROUP LIMITED (GB) 1999-05-20 WO 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 SLC18A3 1112/4885ALDH1A1 1006/4885TSHR 389/4885
US-20200165253-A1 Phthalazine Derivatives, Preparation Method, Pharmaceutical Composition and Usage Thereof GABRA5, CYP3A5, GABRA1 SLC18A3 1112/4885ALDH1A1 1006/4885TSHR 389/4885

“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.