SCHEMBL20850656

SCHEMBL20850656

CC(C)CCCNCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.64
CHRM2 P08172 1/20 0.62
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
SIGMAR1 Q99720 5/20 0.58
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
SCN8A Q9UQD0 1/20 0.50
MPO P05164 1/20 0.49
HDAC3 O15379 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
NCOR2 Q9Y618 2/20 0.47
DRD4 P21917 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL16522409 0.94 MAOA (0.68) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL7861380 0.93 MAOA (0.71) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL640522 0.93 MAOA (0.71) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL372804 0.93 MAOA (0.71) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL29380563 0.93 MAOA (0.71) MAOACHRM2MEN1KMT2ATDP1
SCHEMBL6900998 0.93 MAOA (0.71) MAOACHRM2MEN1KMT2ATDP1
Iodide SCHEMBL8168717 0.91 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Water SCHEMBL8528419 0.91 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL10584193 0.91 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL199811 0.91 MAOA (0.69) MAOACHRM2MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226226-A1 KAPPA-OPIOID RECEPTOR AGONIST IMPLANTS FOR TREATMENT OF PRURITUS TITAN PHARMACEUTICALS INC (US) 2024-07-11 US disclosed
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-05-26 US disclosed
US-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2019-03-28 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 (3 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-20190092758-A1 BLOCKING TOLL-LIKE RECEPTOR 9 SIGNALING WITH SMALL MOLECULE ANTAGONIST TLR9, TLR1, TLR3 MAOA 4299/4885CHRM2 3035/4885MEN1 4468/4885
US-20240226226-A1 KAPPA-OPIOID RECEPTOR AGONIST IMPLANTS FOR TREATMENT OF PRURITUS OPRK1, OPRL1, OPRD1 MAOA 1059/4885CHRM2 106/4885MEN1 4855/4885
US-10662177-B2 Blocking toll-like receptor 9 signaling with small molecule antagonist TLR9, TLR1, TLR3 MAOA 4261/4885CHRM2 3191/4885MEN1 4489/4885

“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.