SCHEMBL430983

SCHEMBL430983

NCC1CCc2ccccc2O1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
HTR1A P08908 12/20 0.52
SIGMAR1 Q99720 2/20 0.52
ADRA2A P08913 1/20 0.52
ADRA2B P18089 1/20 0.52
ADRA2C P18825 1/20 0.52
HTR1D P28221 10/20 0.49

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
SCHEMBL6084492 1.00 CA2 (0.59) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL1383106 1.00 CA2 (0.59) CA2HTR1ASIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL3487482 0.98 CA2 (0.57) CA2HTR1ASIGMAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL6085529 0.98 CA2 (0.57) CA2HTR1ASIGMAR1ADRA2AADRA2B
Bicarbonate SCHEMBL6086499 0.92 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7393368 0.89 CA2 (0.49) CA2HTR1ASIGMAR1ADRA2AADRA2B
Maleic Acid SCHEMBL6086191 0.87 CA2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
Fumaric Acid SCHEMBL6086194 0.87 CA2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL407503 0.86 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL4936349 0.83 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4790910-B2 2011-10-12 JP claimed
US-20060229339-A1 Novel use of substituted aminomethyl chromans MERCK PATENTGESELLSCHAFT (DE) 2006-10-12 US claimed
EP-1425008-B1 USE OF SUBSTITUTED AMINOMETHYL CHROMANS IN THE TREATMENT OF SIDE EFFECTS OF NEUROLEPTICS MERCK PATENT GMBH (DE) 2006-10-04 EP claimed
US-7045629-B2 Method for producing-2[-5-(4-fluorophenyl)-3-pyridylmethylaminomethyl]-chromane MERCK PATENT GMBH (DE) 2006-05-16 US claimed
CN-1714089-A Novel use of substituted aminomethyl chromans MERCK PATENT GMBH (DE) 2005-12-28 CN claimed
EP-1383763-B1 METHOD FOR PRODUCING 2-(-5-(4-FLUOROPHENYL)-3-PYRIDYLMETHYLAMINOMETHYL)-CHROMANE MERCK PATENT GMBH (DE) 2005-10-12 EP claimed
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate KANEKA CORPORATION (JP) 2005-01-20 US claimed
CN-1564818-A Stereoselective synthesis method of 2-hydroxymethyl-chroman WYETH CORP (US) 2005-01-12 CN claimed
CN-1561337-A Stereospecific process for the synthesis of 2-yl chroman derivatives WYETH CORP (US) 2005-01-05 CN claimed
CN-1555259-A use of substituted aminomethyl chromans for the treatment of movement disorders and of adverse effects induced by drugs administered to treat extrapyramidal movement disorders Ĭ��ר���ɷ����޹�˾ 2004-12-15 CN claimed
EP-0540914-B1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1999-06-02 EP claimed
CN-1143079-A Benzoisothiazolyl-substituted aminomethyl chromans BAYER AG (DE) 1997-02-19 CN claimed
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US claimed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US claimed
US-5364857-A Combination having a neuroprotective effect TROPONWERKE GMBH & CO KG (DE) 1994-11-15 US claimed
US-5318988-A Treating psychoses BAYER AKTIENGESELLSCHAFT (DE) 1994-06-07 US claimed
CN-1024667-C process for preparing substituted aminomethyl tetralins and substituted aminomethyl hydrogenated benzopyrans and their salts BAYER AG (DE) 1994-05-25 CN claimed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US claimed
EP-0540914-A1 2-Aminomethylchromans as active ingredients in medicaments for the treatment of diseases of the central nervous system BAYER AG (DE) 1993-05-12 EP claimed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US claimed

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-20060229339-A1 Novel use of substituted aminomethyl chromans CHRM1, HTR1D, COMT CA2 4051/4885HTR1A 6/4885SIGMAR1 231/4885
US-20050014818-A1 Process for producing optically active chroman derivative and intermediate CYP8B1, CYP3A43, HPD CA2 825/4885HTR1A 739/4885SIGMAR1 1763/4885

“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.