SCHEMBL21655001

SCHEMBL21655001

CC(C)CN1CCC(N(C)Cc2ccc(C(C)C)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.45
▸ HRH4 Q9H3N8 1/20 0.44
▸ CHIT1 Q13231 1/20 0.42
▸ CHIA Q9BZP6 1/20 0.42
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ MAOB P27338 1/20 0.40
▸ AGTR2 P50052 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ PYCR1 P32322 1/20 0.39
▸ HTR1D P28221 1/20 0.39
▸ HTR1B P28222 1/20 0.39
▸ LTA4H P09960 1/20 0.38

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
SCHEMBL25108882 0.81 MAOB (0.44) MAOBKDM4EHTR2AHTR2CPYCR1
SCHEMBL25108872 0.81 KDM4E (0.43) HRH3HRH4NOS3NOS1NOS2
SCHEMBL25110795 0.81 RORC (0.44) HRH3HRH4NOS3NOS1NOS2
SCHEMBL24514077 0.80 MAPT (0.43) HRH3HRH4KDM4EALDH1A1HTR1D
SCHEMBL14850006 0.77 HRH3 (0.49) HRH3HRH4CHIT1CHIAKDM4E
SCHEMBL14924037 0.74 ALDH1A1 (0.50) HRH3MAOBALDH1A1
SCHEMBL27358331 0.73 DRD2 (0.49) HRH3
SCHEMBL3605410 0.73 ALDH1A1 (0.53) HRH3ALDH1A1HTR2AHTR2C
SCHEMBL26078953 0.72 ALDH1A1 (0.59) HRH3KDM4EALDH1A1
SCHEMBL21107432 0.72 PIK3CD (0.53) HRH3NOS3NOS1NOS2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550114-B2 Kinase inhibitors and their use in cancer therapy TECHNISCHE UNIVERSITÄT DORTMUND (DE) 2020-02-04 — — 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-10550114-B2 Kinase inhibitors and their use in cancer therapy MAP3K1, MAP3K19, MAP3K6 HRH3 2900/4885HRH4 3454/4885CHIT1 4500/4885

“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.

Send feedback