Sugi Predict

Sugi Predict / Compounds / SCHEMBL6674372

SCHEMBL6674372

SCHEMBL6674372

CCSc1cc(-c2ccc(Cl)cc2Cl)cc2c1O[C@H]1CCNC[C@@H]21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SLC6A2 P23975 8/20 0.33
▸ SLC6A4 P31645 8/20 0.33
▸ HTR2C P28335 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ HTR2B P41595 2/20 0.32
▸ KCNH2 Q12809 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ HTR6 P50406 1/20 0.30

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
SCHEMBL6669223 1.00 AHR (0.34) AHRMAPK1NPC1ALDH1A1HPGD
SCHEMBL6670565 0.93 SLC6A2 (0.33) MAPK1NPC1ALDH1A1HPGDALOX15
SCHEMBL6671257 0.93 SLC6A2 (0.33) MAPK1NPC1ALDH1A1HPGDALOX15
SCHEMBL6670060 0.92 SLC6A2 (0.35) MAPK1SLC6A2SLC6A4HTR2CKMT2A
SCHEMBL6671585 0.92 SLC6A2 (0.35) MAPK1SLC6A2SLC6A4HTR2CKMT2A
SCHEMBL6668323 0.91 NPC1 (0.34) AHRMAPK1NPC1ALDH1A1HPGD
SCHEMBL6668411 0.91 NPC1 (0.34) AHRMAPK1NPC1ALDH1A1HPGD
SCHEMBL6670046 0.91 SLC6A2 (0.34) MAPK1SLC6A2SLC6A4HTR2CKMT2A
SCHEMBL6675134 0.89 HTR2A (0.32) SLC6A2SLC6A4HTR2CHTR2AHTR2B
SCHEMBL6670291 0.89 HTR2A (0.32) SLC6A2SLC6A4HTR2CHTR2AHTR2B

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 7 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
EP-1404679-A2 (HETERO)ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2004-04-07 — — EP claimed
US-20030050304-A1 Therapeutic compounds PHARMACIA & UPJOHN COMPANY 2003-03-13 — — US claimed
WO-2003004501-A2 (HETERO) ARYL SUBSTITUTED BENZOFURANS AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2003-01-16 — — WO 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 AHR 2286/4885MAPK1 3138/4885NPC1 673/4885
US-20030050304-A1 Therapeutic compounds HTR5A, HTR6, HTR1A AHR 2286/4885MAPK1 3138/4885NPC1 673/4885

“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.