SCHEMBL19837643

SCHEMBL19837643

CCCCCCCNC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.90
DRD3 P35462 1/20 0.90
AKR1C3 P42330 1/20 0.78
HDAC1 Q13547 5/20 0.76
HDAC2 Q92769 4/20 0.76
HDAC3 O15379 4/20 0.76
HDAC4 P56524 3/20 0.76
HDAC7 Q8WUI4 3/20 0.76
HDAC10 Q969S8 3/20 0.76
HDAC11 Q96DB2 3/20 0.76
HDAC8 Q9BY41 3/20 0.76
HDAC6 Q9UBN7 3/20 0.76
HDAC9 Q9UKV0 3/20 0.76
HDAC5 Q9UQL6 3/20 0.76
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 2/20 0.73
HSD17B10 Q99714 1/20 0.71
ALOX15 P16050 2/20 0.69
HTR2C P28335 1/20 0.66
ACKR3 P25106 1/20 0.62

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
SCHEMBL19837655 1.00 DRD2 (0.90) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL74104 0.94 DRD2 (1.00) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL27550290 0.92 AKR1C3 (0.86) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL13753861 0.89 DRD2 (0.84) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL6475009 0.88 AKR1C3 (1.00) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL6483696 0.88 AKR1C3 (1.00) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL6473590 0.86 AKR1C3 (0.78) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL6481222 0.86 AKR1C3 (0.78) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL6481636 0.86 AKR1C3 (0.97) DRD2DRD3AKR1C3HDAC1HDAC2
SCHEMBL7370548 0.85 HDAC1 (0.77) DRD2DRD3AKR1C3HDAC1HDAC2

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 DRD2 2461/4885DRD3 2642/4885AKR1C3 2252/4885
US-20180036283-A1 INDOLE-BASED THERAPEUTICS IDO2, IDO1, INMT DRD2 2461/4885DRD3 2642/4885AKR1C3 2252/4885

“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.