SCHEMBL4789143

SCHEMBL4789143

CC(C)NCCCCCCCCNC(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
HRH3 Q9Y5N1 2/20 0.45
GRIA1 P42261 3/20 0.38
ADRB2 P07550 1/20 0.36
HTR1B P28222 1/20 0.35
NR2E1 Q9Y466 1/20 0.35
EPHX1 P07099 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 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
SCHEMBL2479475 1.00 HRH4 (0.45) HRH4HRH3GRIA1ADRB2HTR1B
SCHEMBL19350614 1.00 HRH4 (0.45) HRH4HRH3GRIA1ADRB2HTR1B
SCHEMBL754871 1.00 HRH4 (0.45) HRH4HRH3GRIA1ADRB2HTR1B
SCHEMBL841330 1.00 HRH4 (0.45) HRH4HRH3GRIA1ADRB2HTR1B
SCHEMBL2600364 0.96 HRH4 (0.43) HRH4HRH3GRIA1ADRB2HTR1B
SCHEMBL479263 0.89 HRH4 (0.39) HRH4HRH3ADRB2HTR1BNR2E1
SCHEMBL23841891 0.88 EPHX1 (0.50) HRH4HRH3GRIA1ADRB2EPHX1
SCHEMBL1026323 0.88 EPHX1 (0.50) HRH4HRH3EPHX1KDM4EALDH1A1
SCHEMBL23696489 0.88 EPHX1 (0.50) HRH4HRH3EPHX1KDM4EALDH1A1
SCHEMBL22458762 0.88 EPHX1 (0.50) HRH4HRH3GRIA1ADRB2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2024-01-25 US disclosed
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 US disclosed
WO-2008130721-A1 PREPARATION OF SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-10-30 WO 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 (4 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-20240025878-A1 MDM2 DEGRADERS AND USES THEREOF MDM2, TP53, MDM4 HRH4 4261/4885HRH3 4228/4885GRIA1 4186/4885
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS HRH4 2009/4885HRH3 2428/4885GRIA1 782/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS HRH4 2009/4885HRH3 2428/4885GRIA1 782/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS HRH4 2009/4885HRH3 2428/4885GRIA1 782/4885

“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.