SCHEMBL26997284

SCHEMBL26997284

CCC(C)(C)n1ncc2ccc(C(C)C)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ HTR2B P41595 3/20 0.34
▸ HTR1A P08908 2/20 0.34
▸ ADRA2A P08913 2/20 0.34
▸ ADRA2B P18089 2/20 0.34
▸ ADRA2C P18825 2/20 0.34
▸ HTR7 P34969 2/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR4 Q13639 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RORA P35398 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ RORB Q92753 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ CASR P41180 4/20 0.32
▸ RIPK1 Q13546 1/20 0.32

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
SCHEMBL22357749 0.87 HTR2A (0.36) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL20021709 0.84 GAA (0.36) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL22357747 0.78 CYP26A1 (0.38) MEN1NPC1RAB9AKMT2AKMO
SCHEMBL22923224 0.77 ALDH1A1 (0.36) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL10080931 0.76 NOTUM (0.42) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL12125239 0.75 HTR2A (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL19738739 0.74 RECQL (0.42) ADRA2AMEN1NPC1RAB9AKMT2A
SCHEMBL22358042 0.73 KMO (0.47) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL19697957 0.73 HTR2A (0.44) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL13533133 0.73 HTR2A (0.40) HTR2AHTR2CHTR2BHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 — — 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 (1 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 HTR2A 1198/4885HTR2C 1250/4885HTR2B 1017/4885

“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.

Send feedback