SCHEMBL6935347

SCHEMBL6935347

COc1ccc(OCC(F)(F)F)cc1N1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.56
HTR3E A5X5Y0 3/20 0.56
HTR3B O95264 3/20 0.56
HTR3D Q70Z44 3/20 0.56
HTR3C Q8WXA8 3/20 0.56
HTR6 P50406 9/20 0.50
ADRB1 P08588 1/20 0.50
DRD2 P14416 1/20 0.50
CYP2C19 P33261 1/20 0.50
DRD3 P35462 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
NCF1 P14598 2/20 0.44
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL7821267 0.83 ADRA1D (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7821698 0.82 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2349863 0.82 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL7708526 0.81 HTR3A (0.68) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4754004 0.80 HTR6 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
Hydrochloric Acid SCHEMBL966017 0.79 HTR6 (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6772998 0.78 LIPE (0.48) HTR6LMNAMAPTHTR1A
SCHEMBL6777684 0.77 ADRA1D (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL22892354 0.77 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7832918 0.76 HTR3A (0.62) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226131-B1 ISOXAZOLECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-12-17 EP disclosed
EP-1200445-B1 THIENOPYRANECARBOXAMIDE DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-09-17 EP disclosed
EP-1222183-B1 BENZOPYRAN DERIVATIVES RECORDATI CHEM PHARM (IT) 2003-04-23 EP disclosed
US-20020193381-A1 Thienopyranecarboxamide derivatives RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY 2002-12-19 US disclosed
US-6387909-B1 VISION DEFECTS; BENIGN PROSTATIC HYPERPLASIA RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-05-14 US disclosed
US-6306861-B1 ANTISPASMODIC AGENTS AND TREATMENT OF INCONSTANCE RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-10-23 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 (1 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-20020193381-A1 Thienopyranecarboxamide derivatives ADRA1D, ADRB3, OPRD1 HTR3A 101/4885HTR3E 254/4885HTR3B 250/4885

“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.