SCHEMBL6802856

SCHEMBL6802856

O=S(=O)(NCCN1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCNCC2

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.58
HTR2C P28335 8/20 0.58
HTR2B P41595 7/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 3/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 3/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.49
ACHE P22303 1/20 0.46
HTR6 P50406 1/20 0.45

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
Hydrochloric Acid SCHEMBL6798090 0.99 HTR7 (0.57) HTR7HTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL6800444 0.91 HTR2C (0.57) HTR7HTR2CHTR2BSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL6807636 0.90 HTR2C (0.56) HTR7HTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL1242907 0.88 HTR7 (0.65) HTR7HTR2CHTR2BSMN1; SMN2ALDH1A1
SCHEMBL6801333 0.85 HTR2C (0.55) HTR7HTR2CHTR2BALDH1A1ALOX15
Hydrochloric Acid SCHEMBL6798790 0.84 HTR2C (0.54) HTR7HTR2CHTR2BALDH1A1ALOX15
SCHEMBL7848464 0.83 HTR2C (0.70) HTR2CHTR2BSMN1; SMN2ALDH1A1LMNA
SCHEMBL6802404 0.81 SMN1; SMN2 (0.56) HTR7SMN1; SMN2ALDH1A1TSHRLMNA
SCHEMBL24069077 0.80 HTR7 (0.87) HTR7HTR2CSMN1; SMN2ALDH1A1KMT2A
SCHEMBL17258825 0.79 PNMT (0.57) HTR2CHTR2BSMN1; SMN2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063699-A1 Gpr14 antagonist TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1310490-A1 GPR14 ANTAGONIST Takeda Chemical Industries, Ltd. (JP) 2003-05-14 EP 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-20040063699-A1 Gpr14 antagonist GPR142, GPR139, GPR4 HTR7 168/4885HTR2C 190/4885HTR2B 258/4885

“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.