SCHEMBL6490580

SCHEMBL6490580

Nc1cc2c3c(c1)[C@@H]1CN(C(=O)O)CC[C@@H]1N3CCOC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.34
HTR2A P28223 12/20 0.34
HTR2C P28335 12/20 0.34
CCR3 P51677 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
SCHEMBL6810428 1.00 DRD2 (0.34) DRD2HTR2AHTR2CCCR3
SCHEMBL6494306 0.87 HTR2A (0.36) DRD2HTR2AHTR2C
SCHEMBL6492716 0.82 HTR2C (0.41) DRD2HTR2AHTR2CCCR3
SCHEMBL6501085 0.82 HTR2C (0.41) DRD2HTR2AHTR2CCCR3
SCHEMBL6491258 0.81 DRD2 (0.33) DRD2HTR2AHTR2C
SCHEMBL6489673 0.80 USP30 (0.32)
SCHEMBL6493367 0.79 KDM4E (0.33) DRD2HTR2AHTR2CCCR3
SCHEMBL6810041 0.73 TYK2 (0.35)
SCHEMBL6504219 0.73 PIK3CA (0.36) CCR3
SCHEMBL6491628 0.72 USP30 (0.42) HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919449-B2 Process for the preparation of cephalosporin intermediate and its use for the manufacture of cephalosporin compounds ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2005-07-19 US disclosed
US-6849619-B2 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2005-02-01 US disclosed
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-23 US disclosed
US-6699852-B2 ANTISEROTONIN AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-02 US disclosed
WO-2003089406-A1 A PROCESS FOR THE PREPARATION OF CEPHALOSPORIN INTERMEDIATE AND ITS USE FOR THE MANUFACTURE OF CEPHALOSPORIN COMPOUNDS ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2003-10-30 WO disclosed
US-20030199712-A1 Process for the preparation of cephalosporin intermediate and its use for the manufacture of cephalosporin compounds ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2003-10-23 US disclosed
US-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-11-21 US disclosed
EP-0416857-B1 Process for producing 4-halogeno-2-alkoxyimino-3-oxo fatty acid WAKO PURE CHEM IND LTD (JP) 1995-01-11 EP disclosed
US-5183929-A Method for production of T-butyl 3-oxobutyrates and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-02-02 US disclosed
EP-0246603-B1 4-HALOGENO-2-OXYIMINO-3-OXOBUTYRIC ACIDS Takeda Chemical Industries, Ltd. (JP) 1992-12-30 EP disclosed
US-5109131-A METHOD FOR PRODUCTION OF T-BUTYL 3-OXOBUTYRATES AND THEIR USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-04-28 US disclosed
US-5095149-A PROCESS FOR PRODUCING 4-HALOGENO-2-ALKOXYIMINO-3-OXO FATTY ACID WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1992-03-10 US disclosed
EP-0416857-A2 Process for producing 4-halogeno-2-alkoxyimino-3-oxo fatty acid WAKO PURE CHEMICAL INDUSTRIES LTD (JP) 1991-03-13 EP disclosed
US-4927964-A Method for production of 2-oxyimino-3-oxobutyric acids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-05-22 US disclosed
EP-0325183-A2 Method for the production of 2-oxyimino-3-oxobutyric acids Takeda Chemical Industries, Ltd. (JP) 1989-07-26 EP disclosed
EP-0324418-A2 Method for production of t-butyl- 3-oxobutyrates and their use Takeda Chemical Industries, Ltd. (JP) 1989-07-19 EP disclosed
US-4845257-A 4-halogeno-2-oxyimino-3-oxobutyric acids and derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-07-04 US disclosed
EP-0246603-A2 4-Halogeno-2-Oxyimino-3-Oxobutyric acids Takeda Chemical Industries, Ltd. (JP) 1987-11-25 EP 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 (3 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-20020173503-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 DRD2 30/4885HTR2A 21/4885HTR2C 11/4885
US-20040186094-A1 Substituted pyridoindoles as serotonin agonists and antagonists HTR1A, HTR1B, HTR7 DRD2 30/4885HTR2A 21/4885HTR2C 11/4885
US-20030199712-A1 Process for the preparation of cephalosporin intermediate and its use for the manufacture of cephalosporin compounds CBR1, CBR3, CYP1B1 DRD2 888/4885HTR2A 2277/4885HTR2C 1618/4885

“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.