SCHEMBL20738182

SCHEMBL20738182

CCCC(C)c1cccc(C(F)(F)F)n1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.49
IDH1 O75874 14/20 0.43
SMN1; SMN2 Q16637 1/20 0.38
P2RX7 Q99572 1/20 0.37
IDH2 P48735 3/20 0.36
GRM5 P41594 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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
SCHEMBL24302842 0.90 ADRB1 (0.47) ADRB1IDH1SMN1; SMN2P2RX7IDH2
SCHEMBL26248606 0.87 ADRB1 (0.40) ADRB1IDH1SMN1; SMN2TAS1R3TAS1R1
SCHEMBL15354799 0.86 ADRB1 (0.51) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL23717412 0.85 ADRB1 (0.50) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL22795799 0.82 ADRB1 (0.48) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL12264474 0.82 ADRB1 (0.48) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL23343865 0.81 ADRB1 (0.54) ADRB1IDH1P2RX7IDH2
Hydrochloric Acid SCHEMBL2401971 0.81 IRAK4 (0.47) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL26532692 0.79 ADRB1 (0.43) ADRB1IDH1P2RX7IDH2GRM5
SCHEMBL2609316 0.78 ADRB1 (0.53) ADRB1IDH1P2RX7IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds PHARMAKEA, INC. (US) 2022-05-31 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
WO-2020249799-A1 PYRIDINE CARBAMATES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 WO disclosed
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-01-28 US disclosed
US-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-14 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 (5 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-20190047982-A1 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 ADRB1 3763/4885IDH1 2188/4885SMN1; SMN2 3625/4885
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 ADRB1 23/4885IDH1 3641/4885SMN1; SMN2 2483/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 ADRB1 23/4885IDH1 3641/4885SMN1; SMN2 2483/4885
US-11345676-B2 Apoptosis signal-regulating kinase 1 (ASK 1) inhibitor compounds BAX, BAD, BCL2 ADRB1 3387/4885IDH1 3104/4885SMN1; SMN2 1190/4885
US-10544124-B2 Substituted 2-(het)arylimidazolylcarboxyamides as pesticides DDT, CYP4X1, CYP4Z1 ADRB1 3763/4885IDH1 2188/4885SMN1; SMN2 3625/4885

“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.