SCHEMBL4287677

SCHEMBL4287677

Cc1ccc(CCNN)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP1A2 P05177 2/20 0.60
LMNA P02545 2/20 0.60
CYP3A4 P08684 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
IDO1 P14902 2/20 0.60
KDM1A O60341 1/20 0.60
HTR1A P08908 1/20 0.60
ADRA2A P08913 1/20 0.60
CYP2C8 P10632 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
TSHR P16473 1/20 0.60
NFKB1 P19838 1/20 0.60
MAOA P21397 1/20 0.60
PTGS1 P23219 1/20 0.60
SLC6A2 P23975 1/20 0.60
MAOB P27338 1/20 0.60

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
SCHEMBL11422155 0.98 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACYP1A2LMNA
Hydrochloric Acid SCHEMBL11528835 0.98 ALDH1A1 (0.58) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL24153432 0.81 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL17922518 0.81 TAAR1 (0.61) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL680368 0.78 TAAR1 (0.64) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL12342297 0.78 CHRM2 (0.54) ALDH1A1NPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL11445092 0.76 TAAR1 (0.61) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL2549390 0.76 TAAR1 (0.61) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL11445996 0.76 TAAR1 (0.61) ALDH1A1NPC1RAB9ACYP1A2LMNA
SCHEMBL17919346 0.76 TAAR1 (0.50) ALDH1A1NPC1RAB9ACYP1A2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022125790-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-06-16 WO disclosed
WO-2021188948-A1 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
WO-2021127190-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed
WO-2020251972-A1 SMARCA DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
US-RE30420-E DIURETIC, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DE) 1980-10-21 US disclosed
US-4112227-A DIURETIC, SALURETIC, ANTIHYPERTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4056533-A HYPOTENSIVE AGENTS, ANTICOAGULANTS, DIURETICS BAYER AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4000294-A DIURESIS OR SALURESIS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US disclosed
US-3992404-A DIURETICS, SALURETICS, ANTIHYPERTENSIVE AGENTS, AND ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1976-11-16 US disclosed
US-3952008-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R ALDH1A1 2708/4885NPC1 2803/4885RAB9A 3552/4885

“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.