SCHEMBL6801974

SCHEMBL6801974

Clc1ccc(-c2cc(C3CCCCC3)c3c(c2)[C@@H]2CNCC[C@@H]2O3)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR2C P28335 2/20 0.36
HTR3A P46098 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
AHR P35869 1/20 0.33
JAK3 P52333 1/20 0.32
HTR6 P50406 1/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
GCGR P47871 1/20 0.31
MGLL Q99685 1/20 0.31

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
SCHEMBL6647100 1.00 MAPK1 (0.36) MAPK1KMT2AHTR2CHTR3ASLC6A2
SCHEMBL6670012 0.87 KCNH2 (0.33) HTR2CHTR3ASLC6A2SLC6A4CYP2D6
SCHEMBL6649684 0.87 KCNH2 (0.33) HTR2CHTR3ASLC6A2SLC6A4CYP2D6
SCHEMBL6668908 0.85 SLC6A2 (0.33) MAPK1KMT2AHTR2CSLC6A2SLC6A4
SCHEMBL6674141 0.85 CNR1 (0.35) MAPK1KMT2AHTR2CJAK3
SCHEMBL6670742 0.85 HTR2C (0.35) HTR2CSLC6A4HTR6
SCHEMBL6668619 0.85 HTR2C (0.33) MAPK1KMT2AHTR2CAHR
SCHEMBL6670766 0.85 HTR2C (0.35) HTR2CSLC6A4HTR6
SCHEMBL6670574 0.85 SLC6A2 (0.33) MAPK1KMT2AHTR2CSLC6A2SLC6A4
SCHEMBL6671049 0.85 CNR1 (0.35) MAPK1KMT2AHTR2CJAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US claimed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 US claimed
US-20040214815-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2004-10-28 US disclosed
US-6762191-B2 TREATING DISEASES FOR MODULATING OF 5-HT ACTIVITY, CENTRAL NERVOUS SYSTEM DISORDERS, ANXIETY, OBESITY, DEPRESSION, OR A STRESS-RELATED DISEASE PHARMACIA & UPJOHN COMPANY 2004-07-13 US disclosed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 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-20040214815-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MAPK1 3138/4885KMT2A 3206/4885HTR2C 14/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A MAPK1 3138/4885KMT2A 3206/4885HTR2C 14/4885

“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.