SCHEMBL19837641

SCHEMBL19837641

CC(NC(=O)c1cc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.65
P2RX7 Q99572 2/20 0.55
DRD2 P14416 1/20 0.53
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
GAA P10253 3/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPK1 P28482 1/20 0.49
LMNA P02545 2/20 0.48
EGFR P00533 2/20 0.48
PIK3CA P42336 2/20 0.48
EPHX2 P34913 2/20 0.48
CCKAR P32238 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PYGL P06737 1/20 0.47

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
SCHEMBL19850582 0.85 CNR2 (0.58) CNR2DRD2TAS1R3TAS1R1GAA
SCHEMBL19837639 0.79 CNR2 (1.00) CNR2GAAKDM4EALDH1A1MAPK1
SCHEMBL13753384 0.78 DRD2 (0.68) DRD2TAS1R3TAS1R1GAAKDM4E
SCHEMBL29949076 0.78 DRD2 (0.68) DRD2TAS1R3TAS1R1GAAKDM4E
SCHEMBL19837648 0.77 NPC1 (0.48) CNR2P2RX7KDM4EALDH1A1EPHX2
SCHEMBL19837646 0.76 CNR2 (0.67) CNR2P2RX7DRD2GAAKDM4E
SCHEMBL13753482 0.75 DRD2 (0.64) DRD2TAS1R3TAS1R1GAAKDM4E
SCHEMBL8670236 0.74 CCKAR (0.77) DRD2TAS1R3TAS1R1GAAKDM4E
SCHEMBL8670229 0.74 CCKAR (0.77) DRD2TAS1R3TAS1R1GAAKDM4E
SCHEMBL29988822 0.74 CNR2 (0.65) CNR2GAAKDM4EALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383848-B2 Indole-based therapeutics CREIGHTON UNIVERSITY (US) 2019-08-20 US disclosed
US-10383848-B2 Indole-based therapeutics CREIGHTON UNIVERSITY (US) 2019-08-20 US disclosed
US-20180036283-A1 INDOLE-BASED THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 US disclosed
US-20180036283-A1 INDOLE-BASED THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 US disclosed
US-20180036283-A1 INDOLE-BASED THERAPEUTICS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-08 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 (2 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-10383848-B2 Indole-based therapeutics IDO2, IDO1, INMT CNR2 57/4885P2RX7 4019/4885DRD2 2461/4885
US-20180036283-A1 INDOLE-BASED THERAPEUTICS IDO2, IDO1, INMT CNR2 57/4885P2RX7 4019/4885DRD2 2461/4885

“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.