SCHEMBL16340412

SCHEMBL16340412

CCc1c(N2CCNCC2)nc2c(O)cccn2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.41
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
HTR3E A5X5Y0 3/20 0.40
HTR3B O95264 3/20 0.40
HTR3A P46098 3/20 0.40
HTR3D Q70Z44 3/20 0.40
HTR3C Q8WXA8 3/20 0.40
HTR2C P28335 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MPI P34949 1/20 0.40
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL15175362 0.80 HTR1A (0.36) HTR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL15175770 0.78 KHK (0.40) HTR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL2902371 0.76 KDM4E (0.51) HTR1ADRD2HTR2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11357932 0.75 KDM4E (0.54) HTR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL7886328 0.69 ADRA2A (0.53) HTR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL16340414 0.68 KMT2A (0.51) ALDH1A1KDM4ELMNAGAAKMT2A
SCHEMBL2899691 0.68 MAPT (0.55) HTR1ADRD2HTR2AALDH1A1KDM4E
SCHEMBL15175915 0.67 ALDH1A1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL900644 0.66 ADRA2A (0.53) HTR1ADRD2HTR2AHTR2CALDH1A1
SCHEMBL3634793 0.66 DRD2 (0.55) HTR1ADRD2HTR2AHTR3EHTR3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2024-02-29 US disclosed
US-11753407-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2023-09-12 US disclosed
US-20210276999-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2021-09-09 US disclosed
US-10851101-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2020-12-01 US disclosed
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2018-04-19 US disclosed
US-9879007-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2018-01-30 US disclosed
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2017-05-11 US disclosed
US-9586955-B2 Compounds for treating spinal muscular atrophy PTC THERAPEUTICS, INC. (US) 2017-03-07 US disclosed
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY HOFFMANN-LA ROCHE INC. 2015-01-01 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 (7 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-20240067646-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 HTR1A 3697/4885DRD2 4853/4885HTR2A 4093/4885
US-20150005289-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 HTR1A 3723/4885DRD2 4823/4885HTR2A 3851/4885
US-20180105526-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 HTR1A 3723/4885DRD2 4823/4885HTR2A 3851/4885
US-20210276999-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 HTR1A 3697/4885DRD2 4853/4885HTR2A 4093/4885
US-20170129885-A1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY SMN1; SMN2, CPT1B, GYS1 HTR1A 3723/4885DRD2 4823/4885HTR2A 3851/4885
US-10851101-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 HTR1A 3697/4885DRD2 4853/4885HTR2A 4093/4885
US-11753407-B2 Compounds for treating spinal muscular atrophy SMN1; SMN2, CPT1B, GYS1 HTR1A 3442/4885DRD2 4813/4885HTR2A 4215/4885

“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.