SCHEMBL1305644

SCHEMBL1305644

C[C@H](N)Cc1c[nH]c2cc(Cl)c(F)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.67
HTR2A P28223 7/20 0.62
HTR2C P28335 4/20 0.62
HTR1A P08908 3/20 0.55
HTR2B P41595 3/20 0.55
HTR1B P28222 3/20 0.55
HTR1D P28221 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
NFKB1 P19838 1/20 0.55
CYP2C19 P33261 1/20 0.55
ADRB1 P08588 1/20 0.53
ADRA2A P08913 1/20 0.53
SLC6A2 P23975 1/20 0.53
HTR1E P28566 1/20 0.53
SLC6A4 P31645 1/20 0.53
HTR7 P34969 1/20 0.53
HTR6 P50406 1/20 0.53
SLC6A3 Q01959 1/20 0.53

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
SCHEMBL1250301 1.00 GPR84 (0.67) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL15265531 1.00 GPR84 (0.67) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL16451189 0.89 GPR84 (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL30776138 0.87 HTR2A (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL22229850 0.87 HTR2A (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL24912883 0.87 HTR2A (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL30811413 0.87 HTR2A (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL24690447 0.87 HTR2A (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL29280816 0.87 HTR2A (0.69) GPR84HTR2AHTR2CHTR1AHTR2B
SCHEMBL21944452 0.87 GPR84 (0.65) GPR84HTR2AHTR2CHTR1AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578557-B1 CHEMICAL PROCESS FOR PREPARING SPIROINDOLONES AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2023-09-20 EP disclosed
EP-3578557-B1 CHEMICAL PROCESS FOR PREPARING SPIROINDOLONES AND INTERMEDIATES THEREOF NOVARTIS AG (CH) 2023-09-20 EP disclosed
US-20210348139-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-11-11 US disclosed
US-20210348139-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2021-11-11 US disclosed
US-20200123512-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-23 US disclosed
US-20200123512-A1 BIOCATALYSTS AND METHODS FOR SYNTHESIZING DERIVATIVES OF TRYPTAMINE AND TRYPTAMINE ANALOGS INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2020-04-23 US disclosed
US-10544402-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS INC. (US) 2020-01-28 US disclosed
US-10544402-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS INC. (US) 2020-01-28 US disclosed
EP-3578557-A1 CHEMICAL PROCESS FOR PREPARING SPIROINDOLONES AND INTERMEDIATES THEREOF Novartis AG (CH) 2019-12-11 EP disclosed
EP-3578557-A1 CHEMICAL PROCESS FOR PREPARING SPIROINDOLONES AND INTERMEDIATES THEREOF Novartis AG (CH) 2019-12-11 EP disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 US disclosed
US-20110275613-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-10 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
US-8053442-B2 Organic compounds NOVARTIS AG (CH) 2011-11-08 US disclosed
CN-102015711-A Spiro-indole derivatives for the treatment of parasitic diseases NOVARTIS AG 2011-04-13 CN disclosed
WO-2009132921-A1 SPIRO-INDOLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2009-11-05 WO disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 US disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 US disclosed
US-20090275560-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-11-05 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-20090275560-A1 ORGANIC COMPOUNDS OTC, PC, OAT GPR84 3128/4885HTR2A 4638/4885HTR2C 4428/4885
US-20110275613-A1 ORGANIC COMPOUNDS OTC, PC, OAT GPR84 3092/4885HTR2A 4625/4885HTR2C 4430/4885

“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.