SCHEMBL7120528

SCHEMBL7120528

COc1cccc2c1OC(CN1CC=C(c3c[nH]c4cc(F)ccc34)CC1)CC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.67
SLC6A4 P31645 5/20 0.53
HTR2A P28223 2/20 0.49
DRD2 P14416 2/20 0.49
OPRL1 P41146 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GMNN O75496 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL7120497 1.00 HTR1A (0.67) HTR1ASLC6A4HTR2ADRD2OPRL1
SCHEMBL7125110 0.94 HTR1A (0.76) HTR1ASLC6A4HTR2ADRD2
SCHEMBL7129070 0.94 HTR1A (0.76) HTR1ASLC6A4HTR2ADRD2
SCHEMBL7121689 0.90 HTR1A (0.61) HTR1ASLC6A4HTR2ADRD2KDM4E
SCHEMBL7131799 0.90 HTR1A (0.61) HTR1ASLC6A4HTR2ADRD2KDM4E
SCHEMBL5845217 0.86 HTR1A (0.66) HTR1ASLC6A4HTR2ADRD2
SCHEMBL7122366 0.86 HTR1A (0.58) HTR1ASLC6A4HTR2ADRD2OPRL1
SCHEMBL5843574 0.80 HTR1A (0.75) HTR1ASLC6A4DRD2
SCHEMBL7920755 0.80 HTR1A (1.00) HTR1ASLC6A4HTR2ADRD2
SCHEMBL7120812 0.80 HTR1A (0.59) HTR1ASLC6A4HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US claimed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US claimed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 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-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A HTR1A 3/4885SLC6A4 60/4885HTR2A 19/4885

“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.