SCHEMBL3868019

SCHEMBL3868019

COc1[nH]c2ccccc2c1CN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
CYP3A4 P08684 2/20 0.65
HTR6 P50406 3/20 0.51
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
TSHR P16473 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
HTR1A P08908 2/20 0.41
HTR1D P28221 2/20 0.41
HTR7 P34969 2/20 0.41
HPGD P15428 2/20 0.41
DRD2 P14416 2/20 0.41

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
SCHEMBL7360155 0.80 MAPT (0.56) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL28012374 0.79 ALDH1A1 (0.49) MAPTCYP3A4HTR6KDM4EALDH1A1
2-Methyl Gramine SCHEMBL2519973 0.79 MAPT (1.00) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL11493599 0.77 MAPT (0.56) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL11495544 0.77 MAPT (0.56) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL29128851 0.77 HTR6 (0.52) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL28115779 0.75 KDM4E (0.42) MAPTCYP3A4KDM4EALDH1A1HSD17B10
SCHEMBL5144476 0.75 EGFR (0.58) MAPTCYP3A4HTR6KDM4EALDH1A1
SCHEMBL11495830 0.75 HTR2A (0.71) MAPTCYP3A4HTR6HTR2AHTR2C
SCHEMBL3233129 0.75 CYP3A4 (0.67) MAPTCYP3A4HTR6HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401410-A4 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS PHILADELPHIA HEALTH & EDUCATIO (US) 2009-03-04 EP disclosed
EP-1534256-A4 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS AND THE BLOOD-BRAIN BARRIER PHILADELPHIA HEALTH & EDUCATIO (US) 2007-06-20 EP disclosed
US-20060183757-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier Philadelphia Health and 2006-08-17 US disclosed
US-20060135415-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier JAMESON BRADFORD A 2006-06-22 US disclosed
US-20060039903-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors JAMESON BRADFORD A 2006-02-23 US disclosed
US-6979447-B2 Immunomodulation and effect on cell processes relating to serotonin family receptors PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2005-12-27 US disclosed
EP-1534256-A2 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS AND THE BLOOD-BRAIN BARRIER Philadelphia Health and Education Corporation (US) 2005-06-01 EP disclosed
EP-1401410-A2 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS Philadelphia Health and Education Corporation (US) 2004-03-31 EP disclosed
WO-2003106660-A2 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS AND THE BLOOD-BRAIN BARRIER PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2003-12-24 WO disclosed
US-20030100570-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors PHILADELPHIA HEALTH AND EDUCATION CORPORATION (D/B/A MCH HAHNEMANN UNIVERSITY) 2003-05-29 US disclosed
WO-2002078643-A2 IMMUNOMODULATION AND EFFECT ON CELL PROCESSES RELATING TO SEROTONIN FAMILY RECEPTORS PHILADELPHIA HEALTH AND EDUCATION CORPORATION (US) 2002-10-10 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 (4 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-20060039903-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors HTR6, HTR3B, HTR4 MAPT 3898/4885CYP3A4 2057/4885HTR6 1/4885
US-20060135415-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier HTR2A, HTR1B, HTR5A MAPT 3115/4885CYP3A4 711/4885HTR6 4/4885
US-20060183757-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors and the blood-brain barrier HTR2A, HTR1B, HTR5A MAPT 3115/4885CYP3A4 711/4885HTR6 4/4885
US-20030100570-A1 Immunomodulation and effect on cell processes relating to serotonin family receptors HTR6, HTR3B, HTR4 MAPT 3898/4885CYP3A4 2057/4885HTR6 1/4885

“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.