SCHEMBL3754198

SCHEMBL3754198

COC(=O)C[C@H]1CCCc2ccc(N)cc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.46
MTNR1B P49286 6/20 0.45
NQO2 P16083 5/20 0.45
ACHE P22303 3/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL3410267 1.00 MTNR1A (0.46) MTNR1AMTNR1BNQO2ACHETRPV1
SCHEMBL3410264 1.00 MTNR1A (0.46) MTNR1AMTNR1BNQO2ACHETRPV1
Hydrochloric Acid SCHEMBL7314463 0.99 MTNR1A (0.45) MTNR1AMTNR1BNQO2ACHETRPV1
SCHEMBL18989984 0.92 MTNR1A (0.48) MTNR1AMTNR1BNQO2
Hydrochloric Acid SCHEMBL7302239 0.86 CYP11B1 (0.43) MTNR1AMTNR1BNQO2ACHE
SCHEMBL3411168 0.85 TRPV1 (0.49) MTNR1AMTNR1BNQO2ACHETRPV1
SCHEMBL3433701 0.85 TRPV1 (0.49) MTNR1AMTNR1BNQO2ACHETRPV1
SCHEMBL3411164 0.85 TRPV1 (0.49) MTNR1AMTNR1BNQO2ACHETRPV1
SCHEMBL3407321 0.83 FFAR1 (0.43) MTNR1AMTNR1BNQO2ACHE
SCHEMBL8616324 0.82 ACHE (0.46) MTNR1AMTNR1BNQO2ACHE

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
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-8450522-B2 Conformationally constrained carboxylic acid derivatives useful for treating metabolic disorders AMGEN INC. (US) 2013-05-28 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
US-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders AMGEN INC. 2010-11-25 US disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO 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-20100298367-A1 Conformationally Constrained Carboxylic Acid Derivatives Useful for Treating Metabolic Disorders PC, GOT2, CS MTNR1A 673/4885MTNR1B 654/4885NQO2 373/4885

“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.