SCHEMBL22304541

SCHEMBL22304541

CC(C)(C)CN1CCN(C2CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV6 Q9H1D0 5/20 0.37
KDM1A O60341 1/20 0.33
SIGMAR1 Q99720 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL15696998 0.91 SIGMAR1 (0.38) TRPV6SIGMAR1KDM4EALDH1A1KMT2A
SCHEMBL18177837 0.91 SIGMAR1 (0.41) SIGMAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL14354978 0.90 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL18026602 0.90 SIGMAR1 (0.44) SIGMAR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL23334402 0.88 ALDH1A1 (0.37) TRPV6KDM4EALDH1A1KMT2A
SCHEMBL24453215 0.86 SIGMAR1 (0.31) TRPV6SIGMAR1KMT2A
SCHEMBL20314481 0.84
SCHEMBL18032442 0.83 HRH3 (0.39) ALDH1A1
SCHEMBL12772414 0.83 HRH3 (0.42) KDM4EALDH1A1
SCHEMBL22047673 0.82 KMT2A (0.33) ALDH1A1KMT2A

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-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 US disclosed
US-20220144804-A1 Compound for Specifically Enhancing Spatial Coupling Degree of TRPV4-KCa2.3 Complex and Use thereof JIANGNAN UNIVERSITY (CN) 2022-05-12 US disclosed
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-07-06 US disclosed
US-20210130345-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHODS AND USES THEREOF BETTA PHARMACEUTICALS CO., LTD. (CN) 2021-05-06 US disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 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 (6 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-20220144804-A1 Compound for Specifically Enhancing Spatial Coupling Degree of TRPV4-KCa2.3 Complex and Use thereof TRPV4, TRPV2, TRPV3 TRPV6 5/4885KDM1A 2956/4885SIGMAR1 2922/4885
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 TRPV6 3990/4885KDM1A 3652/4885SIGMAR1 3131/4885
US-20210130345-A1 BENZIMIDAZOLE DERIVATIVES, PREPARATION METHODS AND USES THEREOF CDK6, CDK4, CDK3 TRPV6 3529/4885KDM1A 645/4885SIGMAR1 4625/4885
US-11053238-B2 Benzimidazole derivatives, preparation methods and uses thereof CDK6, CDK4, CDK3 TRPV6 3529/4885KDM1A 645/4885SIGMAR1 4625/4885
US-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 TRPV6 2644/4885KDM1A 4138/4885SIGMAR1 4107/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 TRPV6 1506/4885KDM1A 3183/4885SIGMAR1 4597/4885

“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.