SCHEMBL3735855

SCHEMBL3735855

CCOC(=O)CN1CCCCC1=NC#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 3/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ KMT2A Q03164 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PRKCA P17252 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34

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
SCHEMBL13077554 1.00 TSHR (0.63) TSHRTDP1ALDH1A1MAPTHPGD
SCHEMBL3735853 1.00 TSHR (0.63) TSHRTDP1ALDH1A1MAPTHPGD
SCHEMBL31714994 0.96 TSHR (0.57) TSHRTDP1ALDH1A1MAPTHPGD
SCHEMBL13041020 0.81 TSHR (0.71) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL31714667 0.79 TSHR (0.39) TSHRTDP1ALDH1A1MAPTLMNA
SCHEMBL10573552 0.76 KMT2A (0.36) TSHRTDP1ALDH1A1MAPTHPGD
SCHEMBL6121644 0.75 TSHR (0.59) TSHRALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL8521747 0.75 TSHR (0.59) TSHRALDH1A1MAPTSMN1; SMN2MAPK1
SCHEMBL6528311 0.75 TSHR (0.50) TSHRALDH1A1LMNAKMT2AGSK3B
SCHEMBL6495319 0.74 TSHR (0.49) TSHRALDH1A1NPSR1RXFP1LMNA

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-7829568-B2 Substituted 5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylamine compounds and their use for producing drugs GRUENENTHAL GMBH (DE) 2010-11-09 — — US disclosed
US-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-12-04 — — 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-20080300256-A1 Substituted 5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-2-ylamine Compounds and Their Use for Producing Drugs CYP3A7, CYP3A5, CYP2D6 TSHR 2141/4885TDP1 2469/4885ALDH1A1 538/4885

“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.

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