SCHEMBL6798682

SCHEMBL6798682

Clc1ccc(-c2cc(SC3CCCC3)c3c(c2)C2CNCCC2O3)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
AHR P35869 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
SCHEMBL6671711 0.99 HTR2C (0.33) HTR2CMAPK1KMT2AAHR
SCHEMBL6668619 0.99 HTR2C (0.33) HTR2CMAPK1KMT2AAHR
SCHEMBL6667410 0.98 HTR2C (0.34) HTR2CMAPK1KMT2AAHR
SCHEMBL6668411 0.88 NPC1 (0.34) HTR2CMAPK1KMT2AAHR
SCHEMBL6668323 0.88 NPC1 (0.34) HTR2CMAPK1KMT2AAHR
SCHEMBL6670260 0.87
SCHEMBL6668284 0.87
SCHEMBL6674372 0.85 AHR (0.34) HTR2CMAPK1KMT2AAHR
SCHEMBL6669223 0.85 AHR (0.34) HTR2CMAPK1KMT2AAHR
SCHEMBL6671740 0.84 SLC6A2 (0.32) HTR2CMAPK1KMT2AAHR

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 HTR2C 14/4885MAPK1 3138/4885KMT2A 3206/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A HTR2C 14/4885MAPK1 3138/4885KMT2A 3206/4885

“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.