Sugi Predict

Sugi Predict / Compounds / SCHEMBL5654869

SCHEMBL5654869

SCHEMBL5654869

O=C(O)c1cc2ccc3c(c2s1)CCN3

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GPR35 Q9HC97 2/20 0.39
▸ BCL2L1 Q07817 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ DAO P14920 1/20 0.37
▸ TBXAS1 P24557 2/20 0.36
▸ NOTUM Q6P988 3/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL17858395 0.73 ALDH1A1 (0.50) KDM4EMAPTGPR35BCL2L1ALDH1A1
SCHEMBL29424453 0.73 NOTUM (0.38) NOTUMDRD2DRD4
SCHEMBL4830635 0.69 GPR35 (0.50) KDM4EMAPTGPR35BCL2L1ALDH1A1
SCHEMBL9770899 0.69 KDM4E (0.51) KDM4EMAPTALDH1A1NOTUMMEN1
SCHEMBL19739924 0.69 CHRNA7 (0.55) KDM4EGPR35BCL2L1ALDH1A1DAO
SCHEMBL2802560 0.65 DAO (0.48) KDM4EMAPTGPR35BCL2L1ALDH1A1
SCHEMBL17843065 0.65 HDAC3 (0.50) KDM4EMAPTGPR35BCL2L1ALDH1A1
SCHEMBL7461107 0.65 KDM4E (0.68) KDM4EMAPTGPR35BCL2L1ALDH1A1
SCHEMBL18889216 0.65 KDM4E (0.53) KDM4EMAPTGPR35BCL2L1ALDH1A1
SCHEMBL15962082 0.65 SELL (0.42) KDM4EMAPTALDH1A1NOTUMHPGD

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-7166632-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 — — US disclosed
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-08 — — US disclosed
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-01 — — US disclosed
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED 2005-08-25 — — 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 (3 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-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A KDM4E 3667/4885MAPT 4548/4885GPR35 101/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A KDM4E 3667/4885MAPT 4548/4885GPR35 101/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A KDM4E 3667/4885MAPT 4548/4885GPR35 101/4885

“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.