SCHEMBL21166136

SCHEMBL21166136

CCCCCCCC(C)(CCCC)N1CCN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 11/20 0.37
GNAI3 P08754 10/20 0.37
GNAI1 P63096 10/20 0.37
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.31
THRB P10828 1/20 0.31
GGPS1 O95749 1/20 0.31

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
SCHEMBL20243856 1.00 GNAO1 (0.37) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL27279285 0.98 GNAO1 (0.38) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL22068564 0.98 GNAO1 (0.38) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL21677540 0.98 GNAO1 (0.38) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL21214015 0.98 GNAO1 (0.38) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL18799744 0.98 GNAO1 (0.38) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL26334665 0.96 GNAO1 (0.35) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL21008273 0.94 GNAI3 (0.32) GNAO1GNAI3GNAI1NPC1
SCHEMBL21677324 0.91 GNAO1 (0.36) GNAO1GNAI3GNAI1NPC1TP53
SCHEMBL22024185 0.90 TSHR (0.38) GNAO1GNAI3GNAI1TSHRTHRB

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-10792651-B2 Synthesis and characterization of Ru alkylidene complexes UMICORE AG & CO. KG (DE) 2020-10-06 US disclosed
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2020-09-17 US disclosed
US-10774064-B2 Potassium channel modulators CADENT THERAPEUTICS, INC. (US) 2020-09-15 US disclosed
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20200038851-A1 SYNTHESIS AND CHARACTERIZATION OF RU ALKYLIDENE COMPLEXES UMICORE AG & CO. KG (DE) 2020-02-06 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS NOVARTIS AG (CH) 2019-07-18 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 (7 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 GNAO1 3573/4885GNAI3 1665/4885GNAI1 1617/4885
US-10774064-B2 Potassium channel modulators KCNJ11, KCNJ2, KCNJ1 GNAO1 763/4885GNAI3 861/4885GNAI1 530/4885
US-20190218200-A1 POTASSIUM CHANNEL MODULATORS KCNJ11, KCNJ2, KCNJ1 GNAO1 763/4885GNAI3 861/4885GNAI1 530/4885
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA GNAO1 2514/4885GNAI3 1061/4885GNAI1 652/4885
US-20200038851-A1 SYNTHESIS AND CHARACTERIZATION OF RU ALKYLIDENE COMPLEXES PORCN, ORC3, COASY GNAO1 3607/4885GNAI3 3520/4885GNAI1 3716/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 GNAO1 3573/4885GNAI3 1665/4885GNAI1 1617/4885
US-10792651-B2 Synthesis and characterization of Ru alkylidene complexes PORCN, ORC3, COASY GNAO1 3607/4885GNAI3 3520/4885GNAI1 3716/4885

“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.