SCHEMBL20032334

SCHEMBL20032334

CCC(CC)c1ccc(C)nc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
ADRA2A P08913 3/20 0.37
ADRA2B P18089 3/20 0.37
ADRA2C P18825 3/20 0.37
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2B6 P20813 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
HRH1 P35367 1/20 0.34
HDAC1 Q13547 1/20 0.33

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
SCHEMBL25150346 0.83 P2RX7 (0.39) P2RX7MEN1LMNAKMT2AELANE
SCHEMBL25150547 0.82 NR1I2 (0.50) P2RX7MEN1LMNAKMT2AELANE
SCHEMBL20037747 0.81 MEN1 (0.40) P2RX7MEN1LMNAKMT2AELANE
SCHEMBL23875385 0.81 P2RX7 (0.36) P2RX7MEN1LMNAKMT2AELANE
SCHEMBL24501868 0.81 KMT2A (0.41) P2RX7MEN1LMNAKMT2ACYP1A2
SCHEMBL6745604 0.81 KMT2A (0.41) P2RX7MEN1LMNAKMT2ACYP1A2
SCHEMBL13003596 0.81 KMT2A (0.41) P2RX7MEN1LMNAKMT2ACYP1A2
SCHEMBL23104725 0.80 P2RX7 (0.41) P2RX7MEN1LMNAKMT2AHDAC6
SCHEMBL2674305 0.79 SLC6A4 (0.46) P2RX7MEN1LMNAKMT2AADRA2A
SCHEMBL12352043 0.79 LMNA (0.47) P2RX7MEN1LMNAKMT2AADRA2A

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-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ROIVANT SCIENCES GMBH (CH) 2021-03-16 US disclosed
US-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ROIVANT SCIENCES GMBH (CH) 2020-07-30 US disclosed
US-10292394-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2019-05-21 US disclosed
US-20180110225-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2018-04-05 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 (5 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-20200237760-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A P2RX7 1521/4885MEN1 629/4885LMNA 2851/4885
US-20180092918-A1 SPIROCYCLIC COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS TPH1, TPH2, HTR1A P2RX7 1521/4885MEN1 629/4885LMNA 2851/4885
US-20180110225-A1 HERBICIDAL COMPOUNDS DDT, HPD, DDC P2RX7 902/4885MEN1 4743/4885LMNA 3150/4885
US-10292394-B2 Herbicidal compounds DDT, HPD, DDC P2RX7 902/4885MEN1 4743/4885LMNA 3150/4885
US-10946018-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A P2RX7 1521/4885MEN1 629/4885LMNA 2851/4885

“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.