SCHEMBL24304702

SCHEMBL24304702

Cc1cc(N)ncc1C1CCN(C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPC6 Q9Y210 6/20 0.46
▸ NOS3 P29474 3/20 0.44
▸ NOS1 P29475 3/20 0.44
▸ NOS2 P35228 2/20 0.44
▸ ALOX15 P16050 1/20 0.43
▸ HTR1D P28221 2/20 0.43
▸ HTR1B P28222 2/20 0.43
▸ HTR1F P30939 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.38
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37

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
SCHEMBL21355347 0.86 NOS3 (0.54) TRPC6NOS3NOS1NOS2CHRNB2
SCHEMBL24304138 0.83 HTR1B (0.42) TRPC6NOS3NOS1NOS2HTR1D
SCHEMBL30788216 0.83 HTR1B (0.42) TRPC6NOS3NOS1NOS2HTR1D
SCHEMBL1939255 0.81 TRPC6 (0.57) TRPC6GABRPGABRDGABRA1GABRB1
SCHEMBL20919392 0.80 TRPC6 (0.57) TRPC6
SCHEMBL21081167 0.79 HTR2C (0.46) TRPC6NOS3NOS1NOS2GABRP
SCHEMBL17001656 0.78 CHRNB2 (0.47) TRPC6HTR1DHTR1BHTR1FLRRK2
Hydrochloric Acid SCHEMBL21045940 0.77 HTR2C (0.47) TRPC6NOS3NOS1NOS2GABRP
SCHEMBL1807109 0.75 TRPC6 (0.52) TRPC6
SCHEMBL31203143 0.74 NOS3 (0.41) TRPC6NOS3NOS1NOS2ALOX15

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-20220119370-A1 BRD4-JAK2 INHIBITORS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-04-21 — — 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-20220119370-A1 BRD4-JAK2 INHIBITORS BRD4, BICRA, JAK2 TRPC6 2722/4885NOS3 3828/4885NOS1 4403/4885

“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.

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