SCHEMBL7315772

SCHEMBL7315772

Cc1ccc(-c2ccc3[nH]cc(CCN)c3c2)c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 8/20 0.58
HTR2A P28223 8/20 0.58
HTR1B P28222 5/20 0.56
HTR2C P28335 5/20 0.56
CYP1A2 P05177 3/20 0.56
HTR7 P34969 3/20 0.56
HTR6 P50406 3/20 0.56
MPO P05164 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
NFKB1 P19838 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
CYP2A6 P11509 1/20 0.56
CTSK P43235 1/20 0.56
CYP2A13 Q16696 1/20 0.56
PMP22 Q01453 2/20 0.55
HTR1A P08908 5/20 0.54
TRPM8 Q7Z2W7 5/20 0.51
TSHR P16473 2/20 0.51
HTR4 Q13639 2/20 0.51

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
SCHEMBL7325860 0.83 LTA4H (0.59) HTR1DHTR2AHTR1BHTR2CCYP1A2
Hydrochloric Acid SCHEMBL7312565 0.82 LTA4H (0.61) HTR1DHTR2AHTR1BHTR2CCYP1A2
SCHEMBL7334745 0.81 HTR1D (0.64) HTR1DHTR2AHTR1BHTR2CCYP1A2
SCHEMBL2536567 0.79 LTA4H (0.67) HTR1DHTR2AHTR1BHTR2CCYP1A2
SCHEMBL7325323 0.78 HTR2A (0.77) HTR1DHTR2AHTR1BHTR2CCYP1A2
SCHEMBL27596004 0.75 HTR2A (0.59) HTR1DHTR2AHTR1BHTR2CCYP1A2
Hydrochloric Acid SCHEMBL7313598 0.75 LTA4H (0.65) HTR1DHTR2AHTR1BHTR2CCYP1A2
SCHEMBL1129793 0.74 HTR1D (1.00) HTR1DHTR2AHTR1BHTR2CCYP1A2
SCHEMBL30867163 0.74 HTR1D (1.00) HTR1DHTR2AHTR1BHTR2CCYP1A2
Hydrochloric Acid SCHEMBL7318059 0.74 PMP22 (0.51) HTR1DHTR2AHTR1BHTR2CCYP1A2

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
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 US claimed
WO-2001034146-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION (US) 2001-05-17 WO claimed
US-20010007877-A1 NOVEL ANTI-INFECTIVES SMITHKLINE BEECHAM CORPORATION 2001-07-12 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-20010007877-A1 NOVEL ANTI-INFECTIVES CTSL, MMP8, SERPINB1 HTR1D 4756/4885HTR2A 4799/4885HTR1B 4686/4885

“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.