SCHEMBL29269

SCHEMBL29269

c1ccc(P(c2ccccc2)c2cccc3c2C2(CC3)CCc3cccc(P(c4ccccc4)c4ccccc4)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.42
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.32
CYP2C9 P11712 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL29663718 1.00 DRD1 (0.42) DRD1CYP3A4TDP1MEN1CYP2C9
SCHEMBL15222147 0.92 DRD1 (0.38) DRD1CYP3A4TDP1MEN1KMT2A
SCHEMBL15268226 0.91 DRD1 (0.40) DRD1CYP3A4TDP1
SCHEMBL29638087 0.90 DRD1 (0.45) DRD1CYP3A4TDP1CYP2C9SIGMAR1
SCHEMBL31084186 0.87 DRD1 (0.35) DRD1TDP1
SCHEMBL17758768 0.87 DRD1 (0.35) DRD1
SCHEMBL31084193 0.87 DRD1 (0.35) DRD1TDP1
SCHEMBL15866604 0.87 DRD1 (0.38) DRD1
SCHEMBL10016849 0.85 DRD1 (0.38) DRD1CYP3A4TDP1CYP2C9ESR1
SCHEMBL18788587 0.85 DRD1 (0.33) DRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022127320-A1 INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川大学 2022-06-23 WO claimed
EP-4702000-A1 ALKYLATION PROCESS University of Liverpool (GB) 2026-03-04 EP disclosed
WO-2024224034-A1 ALKYLATION PROCESS THE UNIVERSITY OF LIVERPOOL (GB) 2024-10-31 WO disclosed
EP-3995492-B1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2024-05-29 EP disclosed
CN-116023382-A Method for synthesizing chiral tetrahydropyrazolo [1,5-a ] pyrimidine 北京师范大学 2023-04-28 CN disclosed
EP-3166923-B1 PROCESS FOR PREPARING SUBSTITUTED PHENYLALKANES SpecGx LLC (US) 2023-03-15 EP disclosed
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2022-12-20 US disclosed
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ZHEJIANG UNIVERSITY (CN) 2022-12-20 US disclosed
WO-2022127320-A1 INTERMEDIATE, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 四川大学 2022-06-23 WO disclosed
EP-3995492-A1 A TWO-STEP PROCESS FOR PREPARING 3-SUBSTITUTED PHENYLALKYLAMINES SpecGx LLC (US) 2022-05-11 EP disclosed
US-20140187809-A1 NOVEL RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND USING SAME AS CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-07-03 US disclosed
EP-2609071-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS Novartis AG (CH) 2013-07-03 EP disclosed
US-20130158275-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS NOVARTIS AG (CH) 2013-06-20 US disclosed
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-02-14 US disclosed
WO-2012025502-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS NOVARTIS AG (CH) 2012-03-01 WO disclosed
US-7714149-B2 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-7714149-B2 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-7589218-B2 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2009-09-15 US disclosed
US-7589218-B2 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2009-09-15 US disclosed
US-20080293953-A1 Chiral spiro compounds and their use in asymmetric catalytic reactions THE PENN STATE RESEARCH FOUNDATION (US) 2008-11-27 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 (5 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-20130158275-A1 NEW PROCESS FOR THE PREPARATION OF INTERMEDIATES USEFUL FOR THE MANUFACTURE NEP INHIBITORS MME, DNPEP, REN DRD1 3327/4885CYP3A4 213/4885TDP1 1410/4885
US-20080293953-A1 Chiral spiro compounds and their use in asymmetric catalytic reactions NCOR2, NCOR1, NCOA2 DRD1 923/4885CYP3A4 254/4885TDP1 4656/4885
US-20130041151-A1 RUTHENIUM COMPLEX AND METHOD FOR PREPARING OPTICALLY ACTIVE ALCOHOL COMPOUND ADH5, ADH1C, ADH1A DRD1 121/4885CYP3A4 20/4885TDP1 4056/4885
US-20140187809-A1 NOVEL RUTHENIUM COMPLEX AND PROCESS FOR PRODUCING OPTICALLY ACTIVE ALCOHOL COMPOUND USING SAME AS CATALYST ADH1C, ADH5, ADH1A DRD1 117/4885CYP3A4 31/4885TDP1 4367/4885
US-11530230-B2 Compound of 3,3,3′,3′-tetramethyl-1,1′-spirobiindane-based phosphine ligand, and preparation method thereof ORMDL3, TALDO1, TAC3 DRD1 271/4885CYP3A4 1674/4885TDP1 3979/4885

“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.