SCHEMBL6696545

SCHEMBL6696545

CCCCCN1CCN(CCCc2cc3ccccc3s2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.50
SLC6A4 P31645 1/20 0.50
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
CYP2A6 P11509 3/20 0.43
ADRB2 P07550 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
HTR1A P08908 1/20 0.42

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
SCHEMBL5336314 0.85 DRD2 (0.53) DRD2SLC6A4ADRB2HTR1A
SCHEMBL368353 0.84 CYP2A6 (0.55) CYP2A6ADRB2ASIC3LOXL2
SCHEMBL5332205 0.83 DRD2 (0.52) DRD2SLC6A4SIGMAR1
SCHEMBL24614167 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2
SCHEMBL1687607 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2
SCHEMBL9347724 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2
SCHEMBL9347774 0.82 CYP2A6 (0.53) CYP2A6ADRB2ASIC3LOXL2
SCHEMBL7345698 0.82 CYP2A6 (0.56) DRD2SLC6A4CYP2A6ADRB2ASIC3
SCHEMBL346786 0.82 CYP2A6 (0.56) DRD2SLC6A4CYP2A6ADRB2ASIC3
SCHEMBL6698397 0.76 SLC6A4 (0.50) DRD2SLC6A4KDM4ELMNAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004082686-A2 USE OF COMPOUNDS WITH COMBINED 5-HT1A AND SSRI ACTIVITIES TO TREAT SEXUAL DYSFUNCTION DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 WO claimed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 US claimed
US-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction DYNOGEN PHARMACEUTICALS, INC. (US) 2004-09-30 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-20040192730-A1 Methods of using compounds with combined 5-HT1A and SSRI activities as-needed to treat sexual dysfunction HTR5A, HTR1A, HTR3A DRD2 84/4885SLC6A4 19/4885KDM4E 3958/4885

“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.