Sugi Predict

Sugi Predict / Compounds / SCHEMBL6166073

SCHEMBL6166073

SCHEMBL6166073

O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC[C@H]1CO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.57
▸ LMNA P02545 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ CYP2C9 P11712 5/20 0.54
▸ RECQL P46063 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ PDE10A Q9Y233 1/20 0.52
▸ POLB P06746 2/20 0.52
▸ RAB9A P51151 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPC1 O15118 1/20 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
SCHEMBL6161963 1.00 TRPV1 (0.57) TRPV1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6163232 1.00 TRPV1 (0.57) TRPV1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6163206 0.93 KDM4E (0.59) TRPV1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6161778 0.93 KDM4E (0.59) TRPV1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6161828 0.93 KDM4E (0.59) TRPV1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6163856 0.90 RAB9A (0.67) TRPV1LMNAALDH1A1TSHRHPGD
SCHEMBL6163154 0.90 RAB9A (0.67) TRPV1LMNAALDH1A1TSHRHPGD
SCHEMBL6165000 0.90 RAB9A (0.67) TRPV1LMNAALDH1A1TSHRHPGD
SCHEMBL6163110 0.89 DHODH (0.56) TRPV1LMNAALDH1A1TSHRSMN1; SMN2
SCHEMBL6165980 0.89 DHODH (0.56) TRPV1LMNAALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337523-B1 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORP (US) 2005-10-19 — — EP claimed
US-20040048867-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2004-03-11 — — US claimed
EP-1337523-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2003-08-27 — — EP claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 — — US claimed
US-20020161008-A1 2,4-Substituted pyridine derivatives NEUROGEN CORPORATION 2002-10-31 — — US claimed
WO-2002014269-A2 2,4-SUBSTITUTED PYRIDINE DERIVATIVES NEUROGEN CORPORATION (US) 2002-02-21 — — WO claimed
US-6559163-B2 Agonists, antagonists or inverse agonists for GABAA brain receptors; useful in diagnosis and treatment of anxiety, depression NEUROGEN CORPORATION 2003-05-06 — — 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 (2 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-20020161008-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885LMNA 592/4885ALDH1A1 922/4885
US-20040048867-A1 2,4-Substituted pyridine derivatives GABARAP, GABRB1, GABARAPL1 TRPV1 1234/4885LMNA 592/4885ALDH1A1 922/4885

“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.