SCHEMBL4398038

SCHEMBL4398038

CN(C)CCc1cn(C)c2ccc(F)c(OCc3ccccc3)c12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.49
HTR2B P41595 4/20 0.49
HTR2A P28223 4/20 0.49
HTR6 P50406 5/20 0.44
HTR1D P28221 2/20 0.42
TAAR1 Q96RJ0 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
BCHE P06276 1/20 0.38
KDM1A O60341 1/20 0.38

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
Hydrochloric Acid SCHEMBL3804499 0.99 HTR2C (0.48) HTR2CHTR2BHTR2AHTR6HTR1D
SCHEMBL1163198 0.91 HTR2C (0.47) HTR2CHTR2BHTR2AHTR6HTR1D
SCHEMBL12558410 0.87 HTR2A (0.46) HTR2CHTR2AHTR1DTRPM8KDM1A
SCHEMBL12558406 0.87 KDM1A (0.40) HTR2ABCHEKDM1A
SCHEMBL3809146 0.87 HTR6 (0.46) HTR2CHTR2BHTR2AHTR6HTR1D
SCHEMBL3804929 0.86 HTR2A (0.51) HTR2CHTR2BHTR2AHTR6HTR1D
SCHEMBL13592843 0.85 HTR2C (0.50) HTR2CHTR2BHTR2AHTR6HTR1D
Hydrochloric Acid SCHEMBL4391300 0.84 HTR2C (0.49) HTR2CHTR2BHTR2AHTR6HTR1D
SCHEMBL19650679 0.84 TAAR1 (0.40) HTR2CTAAR1BCHEKDM1A
SCHEMBL4397110 0.83 HTR2A (0.42) HTR2CHTR2BHTR2AHTR6HTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 US disclosed
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-12-24 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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT HTR2C 27/4885HTR2B 31/4885HTR2A 34/4885
US-20090318527-A1 INDOLE COMPOUNDS AND METHODS OF USE THEREOF IDO1, IDO2, INMT HTR2C 30/4885HTR2B 32/4885HTR2A 27/4885

“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.