SCHEMBL19821669

SCHEMBL19821669

CC(C)(C)Cc1ccc(N2CCCCC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.51
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALOX12 P18054 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CNR2 P34972 9/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
UBE2T Q9NPD8 1/20 0.43
CNR1 P21554 1/20 0.40
BRS3 P32247 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CACNA1H O95180 1/20 0.40

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
SCHEMBL12561747 0.98 AOC3 (0.50) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL18924316 0.86 HTR3A (0.45) AOC3CYP11B1CYP11B2
SCHEMBL21934609 0.84 CYP11B1 (0.41) AOC3MAPTALDH1A1CYP11B1CYP11B2
SCHEMBL14903597 0.84 CYP11B1 (0.60) AOC3MAPTALDH1A1LMNACNR2
SCHEMBL21933955 0.82 HRH3 (0.48) AOC3CYP11B1CYP11B2
SCHEMBL8429477 0.81 CYP1A2 (0.54) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL9908392 0.80 HRH3 (0.53) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL345328 0.79 PTPN11 (0.42) AOC3MAPTLMNACYP11B1CYP11B2
SCHEMBL987818 0.78 AOC3 (0.55) AOC3MAPTALDH1A1LMNAALOX12
SCHEMBL10254758 0.78 AOC3 (0.55) AOC3MAPTALDH1A1LMNAALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10189826-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-29 US disclosed
US-10183015-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-22 US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 US disclosed
US-20180028518-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-01 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 (4 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-20180028518-A1 Heterocyclic Compounds and Methods of Use LIPC, CPT1A, FABP1 AOC3 2401/4885MAPT 4172/4885ALDH1A1 779/4885
US-10189826-B2 Heterocyclic compounds and methods of use HRAS, VHL, ESRRB AOC3 3646/4885MAPT 4672/4885ALDH1A1 2384/4885
US-10183015-B2 Heterocyclic compounds and methods of use LIPC, CPT1A, FABP1 AOC3 2401/4885MAPT 4172/4885ALDH1A1 779/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB AOC3 3646/4885MAPT 4672/4885ALDH1A1 2384/4885

“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.